1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one

C9H8BrF2NO — CID 130136097

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one
SMILESCC(=O)C(F)(F)c1ncc(Br)cc1C
InChIInChI=1S/C9H8BrF2NO/c1-5-3-7(10)4-13-8(5)9(11,12)6(2)14/h3-4H,1-2H3
InChIKeyAOMUYSLCTYGSTC-UHFFFAOYSA-N
MW264.07 g/mol
LogP2.83
Rot. Bonds2

About 1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one

1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one (PubChem CID 130136097) has the molecular formula C9H8BrF2NO and a molecular weight of 264.07 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one
PubChem CID130136097
Molecular FormulaC9H8BrF2NO
Molecular Weight264.07 g/mol
Exact Mass262.98
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one
SMILESCC(=O)C(F)(F)c1ncc(Br)cc1C
InChIInChI=1S/C9H8BrF2NO/c1-5-3-7(10)4-13-8(5)9(11,12)6(2)14/h3-4H,1-2H3
InChIKeyAOMUYSLCTYGSTC-UHFFFAOYSA-N
XLogP2.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-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

acetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium
CID 123832191
N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 81489506
N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 81485699
5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide
CID 70896534
acetylene;5-bromo-3-methylpyridin-2-amine
CID 143713181
[5-bromo-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118989405
N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115739184
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 106185086
2-(5-bromo-4-methyl-2-pyridinyl)-2,2-difluoroacetamide
CID 130136087
(5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid
CID 118139687
5-bromo-2-(difluoromethyl)-3-methylpyridine
CID 130095050
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid
CID 167870567

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one (CID 130136097) is 1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one is CC(=O)C(F)(F)c1ncc(Br)cc1C.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one?
The InChIKey is AOMUYSLCTYGSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO/c1-5-3-7(10)4-13-8(5)9(11,12)6(2)14/h3-4H,1-2H3.
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one?
1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one has a molecular weight of 264.07 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one is sourced from PubChem (CID 130136097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).