[4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone

C13H8F3NO2 — CID 118853780

IUPAC[4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccc(O)c(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)9-7-8(4-5-11(9)18)12(19)10-3-1-2-6-17-10/h1-7,18H
InChIKeyFZRBUTKSEACECH-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.04
Rot. Bonds2

About [4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone

[4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone (PubChem CID 118853780) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is [4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
PubChem CID118853780
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name[4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccc(O)c(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)9-7-8(4-5-11(9)18)12(19)10-3-1-2-6-17-10/h1-7,18H
InChIKeyFZRBUTKSEACECH-UHFFFAOYSA-N
XLogP3.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide
CID 3015591
[3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847893
[3-amino-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802654
(3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone
CID 142091739
(3,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 24723586
[5-nitro-2-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118830643
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162536125
3-(pyridine-2-carbonyl)benzenesulfonyl fluoride
CID 165460462
[3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118814239
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
[2-nitro-6-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118836250
pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone
CID 125474108

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone?
The IUPAC name of [4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone (CID 118853780) is [4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone is O=C(c1ccc(O)c(C(F)(F)F)c1)c1ccccn1.
What is the InChIKey of [4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone?
The InChIKey is FZRBUTKSEACECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-13(15,16)9-7-8(4-5-11(9)18)12(19)10-3-1-2-6-17-10/h1-7,18H.
What are the key properties of [4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone?
[4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone has a molecular weight of 267.21 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 118853780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).