3-hydroxy-1H-pyridin-2-one;hydrochloride

C5H6ClNO2 — CID 57468247

IUPAC3-hydroxy-1H-pyridin-2-one;hydrochloride
SMILESCl.O=c1[nH]cccc1O
InChIInChI=1S/C5H5NO2.ClH/c7-4-2-1-3-6-5(4)8;/h1-3,7H,(H,6,8);1H
InChIKeyCDAOQIOOIJQGFY-UHFFFAOYSA-N
MW147.56 g/mol
LogP0.50
Rot. Bonds

About 3-hydroxy-1H-pyridin-2-one;hydrochloride

3-hydroxy-1H-pyridin-2-one;hydrochloride (PubChem CID 57468247) has the molecular formula C5H6ClNO2 and a molecular weight of 147.56 g/mol. Its IUPAC name is 3-hydroxy-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-1H-pyridin-2-one;hydrochloride
PubChem CID57468247
Molecular FormulaC5H6ClNO2
Molecular Weight147.56 g/mol
Exact Mass147.01
IUPAC Name3-hydroxy-1H-pyridin-2-one;hydrochloride
SMILESCl.O=c1[nH]cccc1O
InChIInChI=1S/C5H5NO2.ClH/c7-4-2-1-3-6-5(4)8;/h1-3,7H,(H,6,8);1H
InChIKeyCDAOQIOOIJQGFY-UHFFFAOYSA-N
XLogP0.50
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.56
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-hydroxy-1H-pyridin-2-one;hydrochloride (CID 57468247) is 3-hydroxy-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-hydroxy-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-hydroxy-1H-pyridin-2-one;hydrochloride is Cl.O=c1[nH]cccc1O.
What is the InChIKey of 3-hydroxy-1H-pyridin-2-one;hydrochloride?
The InChIKey is CDAOQIOOIJQGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.ClH/c7-4-2-1-3-6-5(4)8;/h1-3,7H,(H,6,8);1H.
What are the key properties of 3-hydroxy-1H-pyridin-2-one;hydrochloride?
3-hydroxy-1H-pyridin-2-one;hydrochloride has a molecular weight of 147.56 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 57468247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).