[4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone

C14H10F3NO3 — CID 118801497

IUPAC[4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
SMILESCOc1ccc(C(=O)c2ccncc2)c(OC(F)(F)F)c1
InChIInChI=1S/C14H10F3NO3/c1-20-10-2-3-11(12(8-10)21-14(15,16)17)13(19)9-4-6-18-7-5-9/h2-8H,1H3
InChIKeyWPMMQHAYLUGATK-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.22
Rot. Bonds4

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

[4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone (PubChem CID 118801497) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is [4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
PubChem CID118801497
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name[4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
SMILESCOc1ccc(C(=O)c2ccncc2)c(OC(F)(F)F)c1
InChIInChI=1S/C14H10F3NO3/c1-20-10-2-3-11(12(8-10)21-14(15,16)17)13(19)9-4-6-18-7-5-9/h2-8H,1H3
InChIKeyWPMMQHAYLUGATK-UHFFFAOYSA-N
XLogP3.22
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 62789914
pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 68682751
[2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627438
[2-bromo-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627398
methyl 4-pyridin-4-yl-2-(trifluoromethoxy)benzoate
CID 46317670
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 22314037
4-methoxy-2-pyridin-4-yloxybenzoic acid
CID 58236553
[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone
CID 70476597
(4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone
CID 91741601
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanone
CID 3243415
(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694184

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone?
The IUPAC name of [4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone (CID 118801497) is [4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone is COc1ccc(C(=O)c2ccncc2)c(OC(F)(F)F)c1.
What is the InChIKey of [4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone?
The InChIKey is WPMMQHAYLUGATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-20-10-2-3-11(12(8-10)21-14(15,16)17)13(19)9-4-6-18-7-5-9/h2-8H,1H3.
What are the key properties of [4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone?
[4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone has a molecular weight of 297.23 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 118801497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).