5-bromo-4-(difluoromethyl)-1H-pyridin-2-one

C6H4BrF2NO — CID 118989703

IUPAC5-bromo-4-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(Br)c[nH]1
InChIInChI=1S/C6H4BrF2NO/c7-4-2-10-5(11)1-3(4)6(8)9/h1-2,6H,(H,10,11)
InChIKeyKKVNYHDRJIIZKH-UHFFFAOYSA-N
MW224.00 g/mol
LogP2.08
Rot. Bonds1

About 5-bromo-4-(difluoromethyl)-1H-pyridin-2-one

5-bromo-4-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 118989703) has the molecular formula C6H4BrF2NO and a molecular weight of 224.00 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)-1H-pyridin-2-one
PubChem CID118989703
Molecular FormulaC6H4BrF2NO
Molecular Weight224.00 g/mol
Exact Mass222.94
IUPAC Name5-bromo-4-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(Br)c[nH]1
InChIInChI=1S/C6H4BrF2NO/c7-4-2-10-5(11)1-3(4)6(8)9/h1-2,6H,(H,10,11)
InChIKeyKKVNYHDRJIIZKH-UHFFFAOYSA-N
XLogP2.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.00
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-4-(difluoromethyl)-1H-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

Related Compounds

CID 2775130
CID 2775130
CID 819937
CID 819937
CID 13491780
CID 13491780
CID 13491775
CID 13491775
CID 19996518
CID 19996518
CID 90025669
CID 90025669
CID 86811600
CID 86811600
CID 19739586
CID 19739586
CID 20152366
CID 20152366
CID 54246279
CID 54246279
CID 67521078
CID 67521078
CID 67979901
CID 67979901

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-4-(difluoromethyl)-1H-pyridin-2-one (CID 118989703) is 5-bromo-4-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-4-(difluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)F)c(Br)c[nH]1.
What is the InChIKey of 5-bromo-4-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is KKVNYHDRJIIZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO/c7-4-2-10-5(11)1-3(4)6(8)9/h1-2,6H,(H,10,11).
What are the key properties of 5-bromo-4-(difluoromethyl)-1H-pyridin-2-one?
5-bromo-4-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 224.00 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118989703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).