5-amino-3-methyl-1H-pyridin-2-one;hydrochloride

C6H9ClN2O — CID 71757320

IUPAC5-amino-3-methyl-1H-pyridin-2-one;hydrochloride
SMILESCc1cc(N)c[nH]c1=O.Cl
InChIInChI=1S/C6H8N2O.ClH/c1-4-2-5(7)3-8-6(4)9;/h2-3H,7H2,1H3,(H,8,9);1H
InChIKeyKBKNGBOIZFLKOM-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.69
Rot. Bonds

About 5-amino-3-methyl-1H-pyridin-2-one;hydrochloride

5-amino-3-methyl-1H-pyridin-2-one;hydrochloride (PubChem CID 71757320) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 5-amino-3-methyl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-amino-3-methyl-1H-pyridin-2-one;hydrochloride
PubChem CID71757320
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name5-amino-3-methyl-1H-pyridin-2-one;hydrochloride
SMILESCc1cc(N)c[nH]c1=O.Cl
InChIInChI=1S/C6H8N2O.ClH/c1-4-2-5(7)3-8-6(4)9;/h2-3H,7H2,1H3,(H,8,9);1H
InChIKeyKBKNGBOIZFLKOM-UHFFFAOYSA-N
XLogP0.69
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 5-amino-3-methyl-1H-pyridin-2-one;hydrochloride (CID 71757320) is 5-amino-3-methyl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 5-amino-3-methyl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 5-amino-3-methyl-1H-pyridin-2-one;hydrochloride is Cc1cc(N)c[nH]c1=O.Cl.
What is the InChIKey of 5-amino-3-methyl-1H-pyridin-2-one;hydrochloride?
The InChIKey is KBKNGBOIZFLKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.ClH/c1-4-2-5(7)3-8-6(4)9;/h2-3H,7H2,1H3,(H,8,9);1H.
What are the key properties of 5-amino-3-methyl-1H-pyridin-2-one;hydrochloride?
5-amino-3-methyl-1H-pyridin-2-one;hydrochloride has a molecular weight of 160.60 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 71757320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).