[5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone

C14H10F3NO — CID 134622258

IUPAC[5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
SMILESCc1ccc(C(F)(F)F)c(C(=O)c2cccnc2)c1
InChIInChI=1S/C14H10F3NO/c1-9-4-5-12(14(15,16)17)11(7-9)13(19)10-3-2-6-18-8-10/h2-8H,1H3
InChIKeyYJANQIAARBTIRW-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.64
Rot. Bonds2

About [5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone

[5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone (PubChem CID 134622258) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is [5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
PubChem CID134622258
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name[5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
SMILESCc1ccc(C(F)(F)F)c(C(=O)c2cccnc2)c1
InChIInChI=1S/C14H10F3NO/c1-9-4-5-12(14(15,16)17)11(7-9)13(19)10-3-2-6-18-8-10/h2-8H,1H3
InChIKeyYJANQIAARBTIRW-UHFFFAOYSA-N
XLogP3.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
[3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134621971
(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone
CID 115000096
2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid
CID 10085854
pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 139764799
(6-methyl-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43341972
(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964
(2-tert-butyl-5-methylphenyl)-phenylmethanone
CID 58452150
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522
(2-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291200
N-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 171130054
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone (CID 134622258) is [5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone is Cc1ccc(C(F)(F)F)c(C(=O)c2cccnc2)c1.
What is the InChIKey of [5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone?
The InChIKey is YJANQIAARBTIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c1-9-4-5-12(14(15,16)17)11(7-9)13(19)10-3-2-6-18-8-10/h2-8H,1H3.
What are the key properties of [5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone?
[5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone has a molecular weight of 265.23 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 134622258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).