(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone

C12H6BrClFNO — CID 106647496

IUPAC(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C12H6BrClFNO/c13-9-3-1-2-8(11(9)15)12(17)7-4-5-16-6-10(7)14/h1-6H
InChIKeyZWGCGSQYFJECQO-UHFFFAOYSA-N
MW314.54 g/mol
LogP3.87
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone

(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone (PubChem CID 106647496) has the molecular formula C12H6BrClFNO and a molecular weight of 314.54 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone
PubChem CID106647496
Molecular FormulaC12H6BrClFNO
Molecular Weight314.54 g/mol
Exact Mass312.93
IUPAC Name(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C12H6BrClFNO/c13-9-3-1-2-8(11(9)15)12(17)7-4-5-16-6-10(7)14/h1-6H
InChIKeyZWGCGSQYFJECQO-UHFFFAOYSA-N
XLogP3.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone 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

(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone
CID 106644923
(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
CID 114020550
3-bromo-N-(4-chloro-3-pyridinyl)-2-fluorobenzamide
CID 106548031
(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
CID 106647466
(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 114019728
(3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone
CID 105093856
(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098119
(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone
CID 106647314
(3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone
CID 106647422
(3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone
CID 105095200
(3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107949792
(3-bromo-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 107950079

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone (CID 106647496) is (3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone is O=C(c1ccncc1Cl)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone?
The InChIKey is ZWGCGSQYFJECQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFNO/c13-9-3-1-2-8(11(9)15)12(17)7-4-5-16-6-10(7)14/h1-6H.
What are the key properties of (3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone?
(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone has a molecular weight of 314.54 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone is sourced from PubChem (CID 106647496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).