(6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

C13H9F3N2O — CID 102707596

IUPAC(6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1cccc(C(=O)c2cnccc2C(F)(F)F)n1
InChIInChI=1S/C13H9F3N2O/c1-8-3-2-4-11(18-8)12(19)9-7-17-6-5-10(9)13(14,15)16/h2-7H,1H3
InChIKeyBPRVAIKETLLMIA-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.03
Rot. Bonds2

About (6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

(6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 102707596) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID102707596
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name(6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1cccc(C(=O)c2cnccc2C(F)(F)F)n1
InChIInChI=1S/C13H9F3N2O/c1-8-3-2-4-11(18-8)12(19)9-7-17-6-5-10(9)13(14,15)16/h2-7H,1H3
InChIKeyBPRVAIKETLLMIA-UHFFFAOYSA-N
XLogP3.03
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-methyl-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
(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707666
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709642
(3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707726
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707550
(6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 63553798
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
[1-(2-aminoethyl)triazol-4-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709398
N-[dimethyl(oxo)-λ6-sulfanylidene]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 59882075

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 102707596) is (6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is Cc1cccc(C(=O)c2cnccc2C(F)(F)F)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is BPRVAIKETLLMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c1-8-3-2-4-11(18-8)12(19)9-7-17-6-5-10(9)13(14,15)16/h2-7H,1H3.
What are the key properties of (6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
(6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 266.22 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 102707596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).