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

C13H8F3NO3 — CID 118847893

IUPAC[3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccc(OC(F)(F)F)c(O)c1)c1ccccn1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-11-5-4-8(7-10(11)18)12(19)9-3-1-2-6-17-9/h1-7,18H
InChIKeyRFCGZVQWWBBOOV-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.92
Rot. Bonds3

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

[3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone (PubChem CID 118847893) has the molecular formula C13H8F3NO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is [3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
PubChem CID118847893
Molecular FormulaC13H8F3NO3
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name[3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccc(OC(F)(F)F)c(O)c1)c1ccccn1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-11-5-4-8(7-10(11)18)12(19)9-3-1-2-6-17-9/h1-7,18H
InChIKeyRFCGZVQWWBBOOV-UHFFFAOYSA-N
XLogP2.92
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-amino-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802654
(3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide
CID 3015591
[4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118853780
[3-fluoro-5-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118814239
[4-amino-2-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118814135
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
2-bromo-1-[3-hydroxy-4-(trifluoromethoxy)phenyl]ethanone
CID 170998241
2-chloro-1-[3-hydroxy-4-(trifluoromethoxy)phenyl]ethanone
CID 170998251
[3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone
CID 162509734
pyridine-2-carboxylic acid;3,4,5-trihydroxybenzoic acid
CID 174630299
(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone
CID 54358933
(3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone
CID 142091739

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The IUPAC name of [3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone (CID 118847893) is [3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone is O=C(c1ccc(OC(F)(F)F)c(O)c1)c1ccccn1.
What is the InChIKey of [3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The InChIKey is RFCGZVQWWBBOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)20-11-5-4-8(7-10(11)18)12(19)9-3-1-2-6-17-9/h1-7,18H.
What are the key properties of [3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone?
[3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone has a molecular weight of 283.21 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 118847893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).