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

C14H10F3NO2 — CID 134627443

IUPAC[2-methoxy-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone
SMILESCOc1c(C(=O)c2ccncc2)cccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO2/c1-20-13-10(3-2-4-11(13)14(15,16)17)12(19)9-5-7-18-8-6-9/h2-8H,1H3
InChIKeyDZRATTSZKYCZSU-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.34
Rot. Bonds3

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

[2-methoxy-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone (PubChem CID 134627443) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is [2-methoxy-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-methoxy-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone
PubChem CID134627443
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name[2-methoxy-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone
SMILESCOc1c(C(=O)c2ccncc2)cccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO2/c1-20-13-10(3-2-4-11(13)14(15,16)17)12(19)9-5-7-18-8-6-9/h2-8H,1H3
InChIKeyDZRATTSZKYCZSU-UHFFFAOYSA-N
XLogP3.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine
CID 171929449
3-chloro-1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-1-one
CID 134625977
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522
pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 62789914
[2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627438
(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098109
(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709642
[2-bromo-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627398
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
(2-methylphenyl)-pyridin-4-ylmethanone
CID 19957162
2-methoxy-3-pyridin-4-yl-4-(trifluoromethyl)benzamide
CID 175928443
[4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 118801497

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone?
The IUPAC name of [2-methoxy-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone (CID 134627443) is [2-methoxy-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-methoxy-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-methoxy-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone is COc1c(C(=O)c2ccncc2)cccc1C(F)(F)F.
What is the InChIKey of [2-methoxy-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone?
The InChIKey is DZRATTSZKYCZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-20-13-10(3-2-4-11(13)14(15,16)17)12(19)9-5-7-18-8-6-9/h2-8H,1H3.
What are the key properties of [2-methoxy-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone?
[2-methoxy-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone has a molecular weight of 281.23 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 134627443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).