1H-pyridin-2-one;hydrochloride

C5H6ClNO — CID 19768454

IUPAC1H-pyridin-2-one;hydrochloride
SMILESCl.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.ClH/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H
InChIKeyNRGKFNDKBDBBGY-UHFFFAOYSA-N
MW131.56 g/mol
LogP0.80
Rot. Bonds

About 1H-pyridin-2-one;hydrochloride

1H-pyridin-2-one;hydrochloride (PubChem CID 19768454) has the molecular formula C5H6ClNO and a molecular weight of 131.56 g/mol. Its IUPAC name is 1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1H-pyridin-2-one;hydrochloride
PubChem CID19768454
Molecular FormulaC5H6ClNO
Molecular Weight131.56 g/mol
Exact Mass131.01
IUPAC Name1H-pyridin-2-one;hydrochloride
SMILESCl.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.ClH/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H
InChIKeyNRGKFNDKBDBBGY-UHFFFAOYSA-N
XLogP0.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.56
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-pyridin-2-one;hydrochloride?
The IUPAC name of 1H-pyridin-2-one;hydrochloride (CID 19768454) is 1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 1H-pyridin-2-one;hydrochloride is Cl.O=c1cccc[nH]1.
What is the InChIKey of 1H-pyridin-2-one;hydrochloride?
The InChIKey is NRGKFNDKBDBBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.ClH/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H.
What are the key properties of 1H-pyridin-2-one;hydrochloride?
1H-pyridin-2-one;hydrochloride has a molecular weight of 131.56 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 19768454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).