3-amino-5-bromo-1-methylpyridin-2-one

C6H7BrN2O — CID 52911268

IUPAC3-amino-5-bromo-1-methylpyridin-2-one
SMILESCn1cc(Br)cc(N)c1=O
InChIInChI=1S/C6H7BrN2O/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,8H2,1H3
InChIKeyKRUDZWOELKQDJW-UHFFFAOYSA-N
MW203.04 g/mol
LogP0.73
Rot. Bonds

About 3-amino-5-bromo-1-methylpyridin-2-one

3-amino-5-bromo-1-methylpyridin-2-one (PubChem CID 52911268) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 3-amino-5-bromo-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-methylpyridin-2-one
PubChem CID52911268
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name3-amino-5-bromo-1-methylpyridin-2-one
SMILESCn1cc(Br)cc(N)c1=O
InChIInChI=1S/C6H7BrN2O/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,8H2,1H3
InChIKeyKRUDZWOELKQDJW-UHFFFAOYSA-N
XLogP0.73
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-5-bromo-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-methylpyridin-2-one?
The IUPAC name of 3-amino-5-bromo-1-methylpyridin-2-one (CID 52911268) is 3-amino-5-bromo-1-methylpyridin-2-one.
What is the SMILES notation for 3-amino-5-bromo-1-methylpyridin-2-one?
The canonical SMILES for 3-amino-5-bromo-1-methylpyridin-2-one is Cn1cc(Br)cc(N)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-methylpyridin-2-one?
The InChIKey is KRUDZWOELKQDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,8H2,1H3.
What are the key properties of 3-amino-5-bromo-1-methylpyridin-2-one?
3-amino-5-bromo-1-methylpyridin-2-one has a molecular weight of 203.04 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-methylpyridin-2-one is sourced from PubChem (CID 52911268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).