3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one

C9H9BrClNO — CID 106439742

IUPAC3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one
SMILESC/C(=C/Cl)Cn1cccc(Br)c1=O
InChIInChI=1S/C9H9BrClNO/c1-7(5-11)6-12-4-2-3-8(10)9(12)13/h2-5H,6H2,1H3/b7-5-
InChIKeyJVHXSOHEZGNAGB-ALCCZGGFSA-N
MW262.53 g/mol
LogP2.75
Rot. Bonds2

About 3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one

3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one (PubChem CID 106439742) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one
PubChem CID106439742
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one
SMILESC/C(=C/Cl)Cn1cccc(Br)c1=O
InChIInChI=1S/C9H9BrClNO/c1-7(5-11)6-12-4-2-3-8(10)9(12)13/h2-5H,6H2,1H3/b7-5-
InChIKeyJVHXSOHEZGNAGB-ALCCZGGFSA-N
XLogP2.75
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-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-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one (CID 106439742) is 3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one is C/C(=C/Cl)Cn1cccc(Br)c1=O.
What is the InChIKey of 3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one?
The InChIKey is JVHXSOHEZGNAGB-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-7(5-11)6-12-4-2-3-8(10)9(12)13/h2-5H,6H2,1H3/b7-5-.
What are the key properties of 3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one?
3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one has a molecular weight of 262.53 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one is sourced from PubChem (CID 106439742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).