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

C7H8ClNO3 — CID 134690917

IUPAC3-hydroxy-4-methylpyridine-2-carboxylic acid;hydrochloride
SMILESCc1ccnc(C(=O)O)c1O.Cl
InChIInChI=1S/C7H7NO3.ClH/c1-4-2-3-8-5(6(4)9)7(10)11;/h2-3,9H,1H3,(H,10,11);1H
InChIKeyFYSKBHYHBQBLMT-UHFFFAOYSA-N
MW189.60 g/mol
LogP1.22
Rot. Bonds1

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

3-hydroxy-4-methylpyridine-2-carboxylic acid;hydrochloride (PubChem CID 134690917) has the molecular formula C7H8ClNO3 and a molecular weight of 189.60 g/mol. Its IUPAC name is 3-hydroxy-4-methylpyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-4-methylpyridine-2-carboxylic acid;hydrochloride
PubChem CID134690917
Molecular FormulaC7H8ClNO3
Molecular Weight189.60 g/mol
Exact Mass189.02
IUPAC Name3-hydroxy-4-methylpyridine-2-carboxylic acid;hydrochloride
SMILESCc1ccnc(C(=O)O)c1O.Cl
InChIInChI=1S/C7H7NO3.ClH/c1-4-2-3-8-5(6(4)9)7(10)11;/h2-3,9H,1H3,(H,10,11);1H
InChIKeyFYSKBHYHBQBLMT-UHFFFAOYSA-N
XLogP1.22
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 51.22
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;hydrochloride?
The IUPAC name of 3-hydroxy-4-methylpyridine-2-carboxylic acid;hydrochloride (CID 134690917) is 3-hydroxy-4-methylpyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-hydroxy-4-methylpyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-hydroxy-4-methylpyridine-2-carboxylic acid;hydrochloride is Cc1ccnc(C(=O)O)c1O.Cl.
What is the InChIKey of 3-hydroxy-4-methylpyridine-2-carboxylic acid;hydrochloride?
The InChIKey is FYSKBHYHBQBLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.ClH/c1-4-2-3-8-5(6(4)9)7(10)11;/h2-3,9H,1H3,(H,10,11);1H.
What are the key properties of 3-hydroxy-4-methylpyridine-2-carboxylic acid;hydrochloride?
3-hydroxy-4-methylpyridine-2-carboxylic acid;hydrochloride has a molecular weight of 189.60 g/mol, XLogP of 1.22, 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;hydrochloride is sourced from PubChem (CID 134690917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).