6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride

C6H8ClNO2 — CID 54600175

IUPAC6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride
SMILESCc1cc(O)[nH]c(=O)c1.Cl
InChIInChI=1S/C6H7NO2.ClH/c1-4-2-5(8)7-6(9)3-4;/h2-3H,1H3,(H2,7,8,9);1H
InChIKeyBFTLBOCBHIFLBQ-UHFFFAOYSA-N
MW161.59 g/mol
LogP0.81
Rot. Bonds

About 6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride

6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride (PubChem CID 54600175) has the molecular formula C6H8ClNO2 and a molecular weight of 161.59 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride
PubChem CID54600175
Molecular FormulaC6H8ClNO2
Molecular Weight161.59 g/mol
Exact Mass161.02
IUPAC Name6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride
SMILESCc1cc(O)[nH]c(=O)c1.Cl
InChIInChI=1S/C6H7NO2.ClH/c1-4-2-5(8)7-6(9)3-4;/h2-3H,1H3,(H2,7,8,9);1H
InChIKeyBFTLBOCBHIFLBQ-UHFFFAOYSA-N
XLogP0.81
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride (CID 54600175) is 6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride is Cc1cc(O)[nH]c(=O)c1.Cl.
What is the InChIKey of 6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride?
The InChIKey is BFTLBOCBHIFLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.ClH/c1-4-2-5(8)7-6(9)3-4;/h2-3H,1H3,(H2,7,8,9);1H.
What are the key properties of 6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride?
6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride has a molecular weight of 161.59 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 54600175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).