(3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

C12H5Br2F3N2O — CID 102707725

IUPAC(3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1cnccc1C(F)(F)F)c1ncc(Br)cc1Br
InChIInChI=1S/C12H5Br2F3N2O/c13-6-3-9(14)10(19-4-6)11(20)7-5-18-2-1-8(7)12(15,16)17/h1-5H
InChIKeyAFURZJOTYJBEFG-UHFFFAOYSA-N
MW409.99 g/mol
LogP4.25
Rot. Bonds2

About (3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

(3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 102707725) has the molecular formula C12H5Br2F3N2O and a molecular weight of 409.99 g/mol. Its IUPAC name is (3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID102707725
Molecular FormulaC12H5Br2F3N2O
Molecular Weight409.99 g/mol
Exact Mass407.87
IUPAC Name(3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1cnccc1C(F)(F)F)c1ncc(Br)cc1Br
InChIInChI=1S/C12H5Br2F3N2O/c13-6-3-9(14)10(19-4-6)11(20)7-5-18-2-1-8(7)12(15,16)17/h1-5H
InChIKeyAFURZJOTYJBEFG-UHFFFAOYSA-N
XLogP4.25
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.99
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-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

bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
(5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709568
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707666
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
(4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709472
(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707594
(4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709294
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707550
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522
(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709642
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 102707725) is (3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1cnccc1C(F)(F)F)c1ncc(Br)cc1Br.
What is the InChIKey of (3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is AFURZJOTYJBEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Br2F3N2O/c13-6-3-9(14)10(19-4-6)11(20)7-5-18-2-1-8(7)12(15,16)17/h1-5H.
What are the key properties of (3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
(3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 409.99 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 102707725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).