2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid

C14H13NO4 — CID 19700750

IUPAC2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2ncccc2C(=O)O)c1CO
InChIInChI=1S/C14H13NO4/c1-19-12-6-2-4-9(11(12)8-16)13-10(14(17)18)5-3-7-15-13/h2-7,16H,8H2,1H3,(H,17,18)
InChIKeyGBOBTDHZFXMIMA-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.95
Rot. Bonds4

About 2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid

2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid (PubChem CID 19700750) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid
PubChem CID19700750
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2ncccc2C(=O)O)c1CO
InChIInChI=1S/C14H13NO4/c1-19-12-6-2-4-9(11(12)8-16)13-10(14(17)18)5-3-7-15-13/h2-7,16H,8H2,1H3,(H,17,18)
InChIKeyGBOBTDHZFXMIMA-UHFFFAOYSA-N
XLogP1.95
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-carboxy-2-(hydroxymethyl)-4-methylphenyl]pyridine-3-carboxylic acid
CID 19700956
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
2-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid
CID 57210364
4-(3-methoxy-2-pyridinyl)-1H-pyrrole-3-carboxylic acid
CID 142280013
2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid
CID 67942842
CID 140659605
CID 140659605
3-methoxy-2-(methoxymethyl)benzoic acid
CID 59838599
2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 46779210
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
2-(3-methoxy-2-pyridinyl)acetic acid
CID 53411457
2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid
CID 70407654
3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid
CID 22687712

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid (CID 19700750) is 2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid is COc1cccc(-c2ncccc2C(=O)O)c1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid?
The InChIKey is GBOBTDHZFXMIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-19-12-6-2-4-9(11(12)8-16)13-10(14(17)18)5-3-7-15-13/h2-7,16H,8H2,1H3,(H,17,18).
What are the key properties of 2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid?
2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 19700750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).