5-(methylamino)-1H-pyridin-2-one;hydrochloride

C6H9ClN2O — CID 170916863

IUPAC5-(methylamino)-1H-pyridin-2-one;hydrochloride
SMILESCNc1ccc(=O)[nH]c1.Cl
InChIInChI=1S/C6H8N2O.ClH/c1-7-5-2-3-6(9)8-4-5;/h2-4,7H,1H3,(H,8,9);1H
InChIKeyLQHNAJQXOQKZIF-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.84
Rot. Bonds1

About 5-(methylamino)-1H-pyridin-2-one;hydrochloride

5-(methylamino)-1H-pyridin-2-one;hydrochloride (PubChem CID 170916863) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 5-(methylamino)-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(methylamino)-1H-pyridin-2-one;hydrochloride
PubChem CID170916863
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name5-(methylamino)-1H-pyridin-2-one;hydrochloride
SMILESCNc1ccc(=O)[nH]c1.Cl
InChIInChI=1S/C6H8N2O.ClH/c1-7-5-2-3-6(9)8-4-5;/h2-4,7H,1H3,(H,8,9);1H
InChIKeyLQHNAJQXOQKZIF-UHFFFAOYSA-N
XLogP0.84
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 5-(methylamino)-1H-pyridin-2-one;hydrochloride (CID 170916863) is 5-(methylamino)-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 5-(methylamino)-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 5-(methylamino)-1H-pyridin-2-one;hydrochloride is CNc1ccc(=O)[nH]c1.Cl.
What is the InChIKey of 5-(methylamino)-1H-pyridin-2-one;hydrochloride?
The InChIKey is LQHNAJQXOQKZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.ClH/c1-7-5-2-3-6(9)8-4-5;/h2-4,7H,1H3,(H,8,9);1H.
What are the key properties of 5-(methylamino)-1H-pyridin-2-one;hydrochloride?
5-(methylamino)-1H-pyridin-2-one;hydrochloride has a molecular weight of 160.60 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 170916863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).