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

C13H11NO3 — CID 53222725

IUPAC3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1ccccc1CO
InChIInChI=1S/C13H11NO3/c15-8-9-4-1-2-5-10(9)11-6-3-7-14-12(11)13(16)17/h1-7,15H,8H2,(H,16,17)
InChIKeyLPEQITXVTJROCM-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.94
Rot. Bonds3

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

3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 53222725) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid
PubChem CID53222725
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1ccccc1CO
InChIInChI=1S/C13H11NO3/c15-8-9-4-1-2-5-10(9)11-6-3-7-14-12(11)13(16)17/h1-7,15H,8H2,(H,16,17)
InChIKeyLPEQITXVTJROCM-UHFFFAOYSA-N
XLogP1.94
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylpyridine-2-carboxylic acid
CID 2762789
benzoic acid;[2-[2-(hydroxymethyl)phenyl]phenyl]methanol
CID 69100469
3-(4-methylnaphthalen-1-yl)pyridine-2-carboxylic acid
CID 107525274
3-pyridin-4-ylpyridine-2-carboxylic acid
CID 46316065
3-(2-ethylphenyl)pyridine-2-carboxamide
CID 174881246
3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyridine-2-carboxylic acid
CID 12017234
3-(4-hydroxyphenyl)pyridine-2-carboxylic acid
CID 53222577
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid
CID 67796910
(2-quinolin-5-ylphenyl)methanol
CID 172649381
3-(hydroxymethyl)-N-phenylpyridine-2-carboxamide
CID 10466316
3-(2,5-diethylphenyl)pyridine-2-carboxylic acid
CID 107525268

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid (CID 53222725) is 3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid is O=C(O)c1ncccc1-c1ccccc1CO.
What is the InChIKey of 3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is LPEQITXVTJROCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-8-9-4-1-2-5-10(9)11-6-3-7-14-12(11)13(16)17/h1-7,15H,8H2,(H,16,17).
What are the key properties of 3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid?
3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 53222725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).