4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid

C8H9NO3 — CID 91225203

IUPAC4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(CO)c(C(=O)O)cn1
InChIInChI=1S/C8H9NO3/c1-5-2-6(4-10)7(3-9-5)8(11)12/h2-3,10H,4H2,1H3,(H,11,12)
InChIKeySQRIHBPBELINBS-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.58
Rot. Bonds2

About 4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid

4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid (PubChem CID 91225203) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
PubChem CID91225203
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(CO)c(C(=O)O)cn1
InChIInChI=1S/C8H9NO3/c1-5-2-6(4-10)7(3-9-5)8(11)12/h2-3,10H,4H2,1H3,(H,11,12)
InChIKeySQRIHBPBELINBS-UHFFFAOYSA-N
XLogP0.58
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(hydroxymethyl)-6-methylpyridine-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

4,6-dimethylpyridine-3-carboxylic acid
CID 817290
6-methyl-4-phenylpyridine-3-carboxylic acid
CID 82113463
4-ethoxy-6-methylpyridine-3-carboxylic acid
CID 81230098
4-ethynyl-6-methylpyridine-3-carboxylic acid
CID 74888677
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 104552262
4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
CID 81233201
6-(chloromethyl)-4-ethylpyridine-3-carboxylic acid
CID 57099820
4-(3-methoxypropoxy)-6-methylpyridine-3-carboxylic acid
CID 81225924
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
5-(hydroxymethyl)-2,4-dimethylbenzoic acid
CID 89037743
6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 81233197

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid (CID 91225203) is 4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid is Cc1cc(CO)c(C(=O)O)cn1.
What is the InChIKey of 4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is SQRIHBPBELINBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-2-6(4-10)7(3-9-5)8(11)12/h2-3,10H,4H2,1H3,(H,11,12).
What are the key properties of 4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid?
4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 91225203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).