3-hydroxy-4-methylpyridine-2-carboxylic acid

C7H7NO3 — CID 18681942

IUPAC3-hydroxy-4-methylpyridine-2-carboxylic acid
SMILESCc1ccnc(C(=O)O)c1O
InChIInChI=1S/C7H7NO3/c1-4-2-3-8-5(6(4)9)7(10)11/h2-3,9H,1H3,(H,10,11)
InChIKeyFGIOYVALQZKTOU-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.79
Rot. Bonds1

About 3-hydroxy-4-methylpyridine-2-carboxylic acid

3-hydroxy-4-methylpyridine-2-carboxylic acid (PubChem CID 18681942) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3-hydroxy-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-methylpyridine-2-carboxylic acid
PubChem CID18681942
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name3-hydroxy-4-methylpyridine-2-carboxylic acid
SMILESCc1ccnc(C(=O)O)c1O
InChIInChI=1S/C7H7NO3/c1-4-2-3-8-5(6(4)9)7(10)11/h2-3,9H,1H3,(H,10,11)
InChIKeyFGIOYVALQZKTOU-UHFFFAOYSA-N
XLogP0.79
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-methylpyridine-2-carboxylic acid (CID 18681942) is 3-hydroxy-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-methylpyridine-2-carboxylic acid is Cc1ccnc(C(=O)O)c1O.
What is the InChIKey of 3-hydroxy-4-methylpyridine-2-carboxylic acid?
The InChIKey is FGIOYVALQZKTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-4-2-3-8-5(6(4)9)7(10)11/h2-3,9H,1H3,(H,10,11).
What are the key properties of 3-hydroxy-4-methylpyridine-2-carboxylic acid?
3-hydroxy-4-methylpyridine-2-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 18681942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).