Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5889
- Core Entity Id
- 9731
- Source Entity Count
- 1
- Preferred Name
- 4-cyanopyridine
- Name En
- Pubchem Id
- 7506
- Smiles Canonical
- C1=CN=CC=C1C#N
- Molecular Formula
- C6H4N2
- Molecular Weight
- 104.1120
- Inchikey
- GPHQHTOMRSGBNZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
- Isomeric Smiles
- C1=CN=CC=C1C#N
- Cas Id
- Ob Score
- Mol Logp
- 0.9533
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Cyanopyridine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-Cyanopyridine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-cyanopyridine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-cyanopyridine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-cyanopyridine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
.gamma.-Cyanopyridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
.gamma.-Cyanopyridine
Role
alias
Source
HERB_v2
Preferred
No
Name
100-48-1
Role
alias
Source
HERB_v2
Preferred
No
Name
100-48-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Pyridinecarbonitrile
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Pyridinecarbonitrile
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Pyridinenitrile
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Pyridinenitrile
Role
alias
Source
HERB_v2
Preferred
No
Name
Isonicotinic acid nitrile
Role
alias
Source
HERB_v2
Preferred
No
Name
Isonicotinic acid nitrile
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isonicotinonitrile
Role
alias
Source
HERB_v2
Preferred
No
Name
Isonicotinonitrile
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00006417
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00006417
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-cyanopyridine
Role
alias
Source
HERB_v2
Preferred
No
Name
p-cyanopyridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
pyridine-4-carbonitrile
Role
alias
Source
HERB_v2
Preferred
No
Name
pyridine-4-carbonitrile
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
.gamma.-Cyanopyridine100-48-14-Pyridinecarbonitrile4-PyridinenitrileIsonicotinic acid nitrileIsonicotinonitrileMFCD00006417p-cyanopyridinepyridine-4-carbonitrile
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010303
Npass
NPC235843
Tcmid
35253
Sym Map
SMIT21481
Pub Chem
7506
Tcmbank
TCMBANKIN006668
Itcmdb Generated
ITX-INGREDIENT-E14805A963B7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
Mol Wt
104.112
Smiles
C1=CN=CC=C1C#N
Mol Log P
0.9532799999999999
Version
v2
In Ch Ikey
GPHQHTOMRSGBNZ-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.491
Num Hacceptors
2
Isomeric Smiles
C1=CN=CC=C1C#N
Canonical Smiles
C1=CN=CC=C1C#N
Herb Alias Names
Isonicotinonitrile100-48-14-Pyridinecarbonitrilepyridine-4-carbonitrileIsonicotinic acid nitrile4-Pyridinenitrilep-cyanopyridine.gamma.-CyanopyridineMFCD00006417
Molecular Weight
104.11 g/mol
Molecular Formula
C6H4N2
Molecular Formula
C6H4N2
Num Rotatable Bonds
0