Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68313
- Core Entity Id
- 130962
- Source Entity Count
- 1
- Preferred Name
- 3-Pyridinecarboxylic acid
- Name En
- Pubchem Id
- 938
- Smiles Canonical
- C1=CC(=CN=C1)C(=O)O
- Molecular Formula
- C7H11NO2
- Molecular Weight
- 141.0800
- Inchikey
- PVNIIMVLHYAWGP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.4000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 50.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Pyridinecarboxylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-Pyridinecarboxylic acid
Itcmdb Generated
ITX-INGREDIENT-650AA41D2A57
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
141.080
Molecular Formula
C7H11NO2
Fda Maximum Daily Dose (Fdamdd)
0.676
Quantitative Estimate Of Drug Likeness（Qed）
0.525