3-amino-5-chloro-4-methyl-1H-pyridin-2-one

C6H7ClN2O — CID 119098684

IUPAC3-amino-5-chloro-4-methyl-1H-pyridin-2-one
SMILESCc1c(Cl)c[nH]c(=O)c1N
InChIInChI=1S/C6H7ClN2O/c1-3-4(7)2-9-6(10)5(3)8/h2H,8H2,1H3,(H,9,10)
InChIKeyWNDWSFOCSMZNKU-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.92
Rot. Bonds

About 3-amino-5-chloro-4-methyl-1H-pyridin-2-one

3-amino-5-chloro-4-methyl-1H-pyridin-2-one (PubChem CID 119098684) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 3-amino-5-chloro-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-4-methyl-1H-pyridin-2-one
PubChem CID119098684
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name3-amino-5-chloro-4-methyl-1H-pyridin-2-one
SMILESCc1c(Cl)c[nH]c(=O)c1N
InChIInChI=1S/C6H7ClN2O/c1-3-4(7)2-9-6(10)5(3)8/h2H,8H2,1H3,(H,9,10)
InChIKeyWNDWSFOCSMZNKU-UHFFFAOYSA-N
XLogP0.92
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-4-methyl-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-chloro-4-methyl-1H-pyridin-2-one (CID 119098684) is 3-amino-5-chloro-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-chloro-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-chloro-4-methyl-1H-pyridin-2-one is Cc1c(Cl)c[nH]c(=O)c1N.
What is the InChIKey of 3-amino-5-chloro-4-methyl-1H-pyridin-2-one?
The InChIKey is WNDWSFOCSMZNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-3-4(7)2-9-6(10)5(3)8/h2H,8H2,1H3,(H,9,10).
What are the key properties of 3-amino-5-chloro-4-methyl-1H-pyridin-2-one?
3-amino-5-chloro-4-methyl-1H-pyridin-2-one has a molecular weight of 158.59 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 119098684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).