3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid

C13H11NO3 — CID 136886171

IUPAC3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid
SMILESCc1cc(-c2ccc(C(=O)O)cc2O)ccn1
InChIInChI=1S/C13H11NO3/c1-8-6-9(4-5-14-8)11-3-2-10(13(16)17)7-12(11)15/h2-7,15H,1H3,(H,16,17)
InChIKeyQJZQKZARGIUWHU-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.46
Rot. Bonds2

About 3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid

3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid (PubChem CID 136886171) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid
PubChem CID136886171
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid
SMILESCc1cc(-c2ccc(C(=O)O)cc2O)ccn1
InChIInChI=1S/C13H11NO3/c1-8-6-9(4-5-14-8)11-3-2-10(13(16)17)7-12(11)15/h2-7,15H,1H3,(H,16,17)
InChIKeyQJZQKZARGIUWHU-UHFFFAOYSA-N
XLogP2.46
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 131619918
3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid
CID 69183844
3-hydroxy-4-(4-sulfanylphenyl)benzoic acid;zinc
CID 174804951
4-methyl-2-(2-methyl-4-pyridinyl)phenol
CID 136955352
3-hydroxy-4-(6-methoxy-3-pyridinyl)benzoic acid
CID 114103385
3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226280
2-fluoro-6-(2-methyl-4-pyridinyl)benzoic acid
CID 114560371
3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid
CID 114103412
4-(3-chlorophenyl)-3-hydroxybenzoic acid
CID 53225819
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid
CID 167895239
3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227053

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid?
The IUPAC name of 3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid (CID 136886171) is 3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid.
What is the SMILES notation for 3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid?
The canonical SMILES for 3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid is Cc1cc(-c2ccc(C(=O)O)cc2O)ccn1.
What is the InChIKey of 3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid?
The InChIKey is QJZQKZARGIUWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-8-6-9(4-5-14-8)11-3-2-10(13(16)17)7-12(11)15/h2-7,15H,1H3,(H,16,17).
What are the key properties of 3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid?
3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid has a molecular weight of 229.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-methyl-4-pyridinyl)benzoic acid is sourced from PubChem (CID 136886171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).