(3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone

C12H6BrF2NO — CID 82809772

IUPAC(3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H6BrF2NO/c13-10-4-7(1-2-11(10)15)12(17)8-3-9(14)6-16-5-8/h1-6H
InChIKeyNQPKRQBJZDBIBL-UHFFFAOYSA-N
MW298.09 g/mol
LogP3.35
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone

(3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone (PubChem CID 82809772) has the molecular formula C12H6BrF2NO and a molecular weight of 298.09 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone
PubChem CID82809772
Molecular FormulaC12H6BrF2NO
Molecular Weight298.09 g/mol
Exact Mass296.96
IUPAC Name(3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H6BrF2NO/c13-10-4-7(1-2-11(10)15)12(17)8-3-9(14)6-16-5-8/h1-6H
InChIKeyNQPKRQBJZDBIBL-UHFFFAOYSA-N
XLogP3.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone
CID 82809025
(5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone
CID 116602928
(2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone
CID 114963527
(4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone
CID 114965929
3-bromo-4-fluorobenzoyl bromide
CID 3018761
(5-fluoro-3-pyridinyl)-quinolin-6-ylmethanone
CID 55180884
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 79736530
1-(3-bromo-4-fluorophenyl)-3-pyridin-4-ylpropane-1,3-dione
CID 55130699
N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 115694774
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105081902
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanone
CID 114963628

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone (CID 82809772) is (3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone is O=C(c1cncc(F)c1)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is NQPKRQBJZDBIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF2NO/c13-10-4-7(1-2-11(10)15)12(17)8-3-9(14)6-16-5-8/h1-6H.
What are the key properties of (3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone?
(3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 298.09 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 82809772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).