(4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone

C14H10F3NO2 — CID 86197789

IUPAC(4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCOc1ccc(C(=O)c2cccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H10F3NO2/c1-20-10-7-5-9(6-8-10)13(19)11-3-2-4-12(18-11)14(15,16)17/h2-8H,1H3
InChIKeyBGSONVVVXULESR-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.34
Rot. Bonds3

About (4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone

(4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 86197789) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is (4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID86197789
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name(4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCOc1ccc(C(=O)c2cccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H10F3NO2/c1-20-10-7-5-9(6-8-10)13(19)11-3-2-4-12(18-11)14(15,16)17/h2-8H,1H3
InChIKeyBGSONVVVXULESR-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

(4-Methoxyphenyl)-2-pyridinylmethanone
CID 80559
Pyridine amide, 29
CID 44237004
Methyl 6-[3-(trifluoromethyl)phenoxy]-2-pyridinecarboxylate
CID 3314738
1-(4-Methoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5717022
3-(4-Methoxyphenyl)-1-(2-pyridinyl)-2-propen-1-one
CID 6035979
6-[4-(4-Fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 9836230
6-[4-(4-Fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11221428
4-(4-Methoxyphenyl)pyridine-2,6-dicarboxylic acid
CID 102499907
1-(4-Methoxyphenyl)-3-(pyridin-4-yl)prop-2-en-1-one
CID 5712235
(4-Methoxyphenyl)-4-pyridinylmethanone
CID 26732
(4-Methoxyphenyl)-3-pyridinylmethanone
CID 32108
1-(4-Methoxyphenyl)-2-(pyridin-2-yl)ethanone
CID 238350

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone (CID 86197789) is (4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone is COc1ccc(C(=O)c2cccc(C(F)(F)F)n2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is BGSONVVVXULESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-20-10-7-5-9(6-8-10)13(19)11-3-2-4-12(18-11)14(15,16)17/h2-8H,1H3.
What are the key properties of (4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone?
(4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone 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 (4-methoxyphenyl)-[6-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 86197789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).