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

C13H8F3NO3 — CID 134627438

IUPAC[2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1cccc(OC(F)(F)F)c1O
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-10-3-1-2-9(12(10)19)11(18)8-4-6-17-7-5-8/h1-7,19H
InChIKeyKMAASPXUXJNWJD-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.92
Rot. Bonds3

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

[2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone (PubChem CID 134627438) has the molecular formula C13H8F3NO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is [2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
PubChem CID134627438
Molecular FormulaC13H8F3NO3
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name[2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1cccc(OC(F)(F)F)c1O
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-10-3-1-2-9(12(10)19)11(18)8-4-6-17-7-5-8/h1-7,19H
InChIKeyKMAASPXUXJNWJD-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

pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 62789914
[2-bromo-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627398
pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 105094681
[4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 118801497
pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 68682751
[2-methoxy-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627443
2-(trifluoromethoxy)benzoate
CID 6933714
2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
CID 137025781
2-fluoro-6-(trifluoromethoxy)phenol
CID 68960936
[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone
CID 70476597
2-fluoro-3-(trifluoromethoxy)benzoyl fluoride
CID 88701433
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone?
The IUPAC name of [2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone (CID 134627438) is [2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone is O=C(c1ccncc1)c1cccc(OC(F)(F)F)c1O.
What is the InChIKey of [2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone?
The InChIKey is KMAASPXUXJNWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)20-10-3-1-2-9(12(10)19)11(18)8-4-6-17-7-5-8/h1-7,19H.
What are the key properties of [2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone?
[2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-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 [2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 134627438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).