1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one

C14H10BrF2NO — CID 115801231

IUPAC1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one
SMILESO=C(Cc1cncc(Br)c1)Cc1c(F)cccc1F
InChIInChI=1S/C14H10BrF2NO/c15-10-4-9(7-18-8-10)5-11(19)6-12-13(16)2-1-3-14(12)17/h1-4,7-8H,5-6H2
InChIKeyWDMZWHKYVFTOLH-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.48
Rot. Bonds4

About 1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one

1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one (PubChem CID 115801231) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one
PubChem CID115801231
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one
SMILESO=C(Cc1cncc(Br)c1)Cc1c(F)cccc1F
InChIInChI=1S/C14H10BrF2NO/c15-10-4-9(7-18-8-10)5-11(19)6-12-13(16)2-1-3-14(12)17/h1-4,7-8H,5-6H2
InChIKeyWDMZWHKYVFTOLH-UHFFFAOYSA-N
XLogP3.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-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

4-amino-1-(5-bromo-3-pyridinyl)butan-2-one
CID 116550854
1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one
CID 104798805
1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 61496199
1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one
CID 105128853
1-(5-bromo-3-pyridinyl)-4-methylsulfanylbutan-2-one
CID 105128936
1-(5-bromo-3-pyridinyl)-3-tert-butylsulfanylpropan-2-one
CID 104798962
1-(5-bromo-3-pyridinyl)-3-propan-2-ylsulfanylpropan-2-one
CID 104798958
2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 104798767
1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one
CID 63409310
1-(5-bromo-3-pyridinyl)-5-methoxypentan-2-one
CID 104798951
4-amino-1-(5-bromo-3-pyridinyl)-5-methylhexan-2-one
CID 116606465
1-(3-amino-2-methylphenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116604481

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one (CID 115801231) is 1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one is O=C(Cc1cncc(Br)c1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one?
The InChIKey is WDMZWHKYVFTOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c15-10-4-9(7-18-8-10)5-11(19)6-12-13(16)2-1-3-14(12)17/h1-4,7-8H,5-6H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one?
1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one has a molecular weight of 326.14 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one is sourced from PubChem (CID 115801231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).