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

C14H10F3NO — CID 134621971

IUPAC[3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
SMILESCc1cccc(C(=O)c2cccnc2)c1C(F)(F)F
InChIInChI=1S/C14H10F3NO/c1-9-4-2-6-11(12(9)14(15,16)17)13(19)10-5-3-7-18-8-10/h2-8H,1H3
InChIKeyFNDDIFXMWBZCLV-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.64
Rot. Bonds2

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

[3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone (PubChem CID 134621971) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is [3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
PubChem CID134621971
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name[3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
SMILESCc1cccc(C(=O)c2cccnc2)c1C(F)(F)F
InChIInChI=1S/C14H10F3NO/c1-9-4-2-6-11(12(9)14(15,16)17)13(19)10-5-3-7-18-8-10/h2-8H,1H3
InChIKeyFNDDIFXMWBZCLV-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

bis[3-methyl-2-(trifluoromethyl)phenyl]methanone
CID 139698418
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
[5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622258
2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid
CID 10085854
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 139764799
(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
CID 53414422
3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one
CID 174395736
[3-(methylamino)phenyl]-pyridin-3-ylmethanone
CID 116917352
[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
CID 122689009
[3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134621945
(2,6-dichlorophenyl)-pyridin-3-ylmethanone
CID 14249700

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone (CID 134621971) is [3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone is Cc1cccc(C(=O)c2cccnc2)c1C(F)(F)F.
What is the InChIKey of [3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone?
The InChIKey is FNDDIFXMWBZCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c1-9-4-2-6-11(12(9)14(15,16)17)13(19)10-5-3-7-18-8-10/h2-8H,1H3.
What are the key properties of [3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone?
[3-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 [3-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 134621971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).