(3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone

C12H6BrF2NO — CID 106941643

IUPAC(3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C12H6BrF2NO/c13-8-3-4-9(14)10(11(8)15)12(17)7-2-1-5-16-6-7/h1-6H
InChIKeyZMTMFFAGRLFPET-UHFFFAOYSA-N
MW298.09 g/mol
LogP3.35
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone

(3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone (PubChem CID 106941643) has the molecular formula C12H6BrF2NO and a molecular weight of 298.09 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone
PubChem CID106941643
Molecular FormulaC12H6BrF2NO
Molecular Weight298.09 g/mol
Exact Mass296.96
IUPAC Name(3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C12H6BrF2NO/c13-8-3-4-9(14)10(11(8)15)12(17)7-2-1-5-16-6-7/h1-6H
InChIKeyZMTMFFAGRLFPET-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone 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

(2,5-dibromophenyl)-pyridin-3-ylmethanone
CID 112694374
(3-bromo-2,6-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 106941639
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
(3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone
CID 106941716
(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
CID 106944351
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
(2,6-dichlorophenyl)-pyridin-3-ylmethanone
CID 14249700
(E)-3-(3-bromo-4-fluorophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7514892
1-(3-bromo-2,6-difluorophenyl)-2-pyridin-2-ylethanone
CID 106941653
(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone
CID 106941718
2-(2-bromophenyl)-1-pyridin-3-ylethanone
CID 60797587
(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone
CID 86696896

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone (CID 106941643) is (3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone is O=C(c1cccnc1)c1c(F)ccc(Br)c1F.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone?
The InChIKey is ZMTMFFAGRLFPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF2NO/c13-8-3-4-9(14)10(11(8)15)12(17)7-2-1-5-16-6-7/h1-6H.
What are the key properties of (3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone?
(3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone 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-2,6-difluorophenyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 106941643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).