[3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone

C13H7F4NO — CID 134621945

IUPAC[3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H7F4NO/c14-11-5-9(4-10(6-11)13(15,16)17)12(19)8-2-1-3-18-7-8/h1-7H
InChIKeyIMEKHLLYHOHTFY-UHFFFAOYSA-N
MW269.20 g/mol
LogP3.47
Rot. Bonds2

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

[3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone (PubChem CID 134621945) has the molecular formula C13H7F4NO and a molecular weight of 269.20 g/mol. Its IUPAC name is [3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
PubChem CID134621945
Molecular FormulaC13H7F4NO
Molecular Weight269.20 g/mol
Exact Mass269.05
IUPAC Name[3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H7F4NO/c14-11-5-9(4-10(6-11)13(15,16)17)12(19)8-2-1-3-18-7-8/h1-7H
InChIKeyIMEKHLLYHOHTFY-UHFFFAOYSA-N
XLogP3.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
2-(pyridine-3-carbonyl)-4-(trifluoromethyl)benzoic acid
CID 10085854
3-fluorobenzoic acid;3-fluoro-5-(trifluoromethyl)benzoic acid
CID 160578219
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
pyridin-3-yl-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 139764799
(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
(4-fluorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone;N-[(4-fluorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 161087576
2,2-dichloro-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
CID 146008732
[5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622258
[4-(trifluoromethyl)phenyl] pyridine-3-carboxylate
CID 144826285
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
[3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134621771

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone (CID 134621945) is [3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of [3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone?
The InChIKey is IMEKHLLYHOHTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO/c14-11-5-9(4-10(6-11)13(15,16)17)12(19)8-2-1-3-18-7-8/h1-7H.
What are the key properties of [3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone?
[3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone has a molecular weight of 269.20 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 134621945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).