(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone

C15H12F3NO — CID 82730577

IUPAC(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCCc1cccnc1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO/c1-2-10-6-4-8-19-13(10)14(20)11-5-3-7-12(9-11)15(16,17)18/h3-9H,2H2,1H3
InChIKeyZBLNDFCEVXKBBH-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.89
Rot. Bonds3

About (3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone

(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 82730577) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is (3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID82730577
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCCc1cccnc1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO/c1-2-10-6-4-8-19-13(10)14(20)11-5-3-7-12(9-11)15(16,17)18/h3-9H,2H2,1H3
InChIKeyZBLNDFCEVXKBBH-UHFFFAOYSA-N
XLogP3.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid
CID 19700744
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 18628527
(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 79786692
(1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 5303840
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 22947144
2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
CID 159329806
[4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 150901036
2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-one
CID 24724049
N-[3-[3-(hydroxyamino)-3-oxopropyl]-2-pyridinyl]-3-(trifluoromethyl)benzamide
CID 166995065
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone
CID 79732735

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone (CID 82730577) is (3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone is CCc1cccnc1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZBLNDFCEVXKBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-2-10-6-4-8-19-13(10)14(20)11-5-3-7-12(9-11)15(16,17)18/h3-9H,2H2,1H3.
What are the key properties of (3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone?
(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 279.26 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 82730577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).