Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5205
- Core Entity Id
- 8973
- Source Entity Count
- 1
- Preferred Name
- 3-vinylpyridine
- Name En
- Pubchem Id
- 14272
- Smiles Canonical
- C=CC1=CN=CC=C1
- Molecular Formula
- C7H7N
- Molecular Weight
- 105.1400
- Inchikey
- DPZYLEIWHTWHCU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H7N/c1-2-7-4-3-5-8-6-7/h2-6H,1H2
- Isomeric Smiles
- C=CC1=CN=CC=C1
- Cas Id
- Ob Score
- Mol Logp
- 1.7246
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-vinylpyridine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-vinylpyridine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-vinylpyridine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1121-55-7
Role
alias
Source
HERB_v2
Preferred
No
Name
1121-55-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Ethenylpyridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Ethenylpyridine
Role
alias
Source
HERB_v2
Preferred
No
Name
3-vinyl-pyridine
Role
alias
Source
HERB_v2
Preferred
No
Name
3-vinyl-pyridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI3-18209
Role
alias
Source
HERB_v2
Preferred
No
Name
AI3-18209
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 5239
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 5239
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyridine, 3-ethenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyridine, 3-ethenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyridine, 3-vinyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyridine, 3-vinyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
R9ZU09Z27A
Role
alias
Source
HERB_v2
Preferred
No
Name
R9ZU09Z27A
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-R9ZU09Z27A
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-R9ZU09Z27A
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1121-55-73-Ethenylpyridine3-vinyl-pyridineAI3-18209CCRIS 5239Pyridine, 3-ethenyl-Pyridine, 3-vinyl-R9ZU09Z27AUNII-R9ZU09Z27A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009761
Npass
NPC229199
Tcm Id
7987
Pub Chem
14272
Tcmbank
TCMBANKIN019933
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C7H7N/c1-2-7-4-3-5-8-6-7/h2-6H,1H2
Mol Wt
105.14
Smiles
C=CC1=CN=CC=C1
Mol Log P
1.7246
In Ch Ikey
DPZYLEIWHTWHCU-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.53
Num Hacceptors
1
Isomeric Smiles
C=CC1=CN=CC=C1
Canonical Smiles
C=CC1=CN=CC=C1
Herb Alias Names
1121-55-73-EthenylpyridinePyridine, 3-ethenyl-Pyridine, 3-vinyl-3-vinyl-pyridineCCRIS 5239UNII-R9ZU09Z27AR9ZU09Z27AAI3-18209
Molecular Weight
105.14 g/mol
Molecular Formula
C7H7N
Molecular Formula
C7H7N
Num Rotatable Bonds
1