6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid

C12H16N2O3 — CID 112625893

IUPAC6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(N2CCC(CO)C2)ccc1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-8-10(12(16)17)2-3-11(13-8)14-5-4-9(6-14)7-15/h2-3,9,15H,4-7H2,1H3,(H,16,17)
InChIKeyJHIPKVYQRKLWMQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.91
Rot. Bonds3

About 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid

6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid (PubChem CID 112625893) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid
PubChem CID112625893
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(N2CCC(CO)C2)ccc1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-8-10(12(16)17)2-3-11(13-8)14-5-4-9(6-14)7-15/h2-3,9,15H,4-7H2,1H3,(H,16,17)
InChIKeyJHIPKVYQRKLWMQ-UHFFFAOYSA-N
XLogP0.91
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-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

6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid
CID 112627134
6-(azepan-1-yl)-2-methylpyridine-3-carboxylic acid
CID 79886015
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 113337632
2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid
CID 174844427
ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 61060891
[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407847
2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 102744196
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
4-[4-(hydroxymethyl)piperidin-1-yl]-2-methylbenzoic acid
CID 113400000

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid (CID 112625893) is 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid is Cc1nc(N2CCC(CO)C2)ccc1C(=O)O.
What is the InChIKey of 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is JHIPKVYQRKLWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-10(12(16)17)2-3-11(13-8)14-5-4-9(6-14)7-15/h2-3,9,15H,4-7H2,1H3,(H,16,17).
What are the key properties of 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid?
6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 112625893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).