(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

C14H10F3NO2 — CID 102707522

IUPAC(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1cccc(C(=O)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO2/c1-20-10-4-2-3-9(7-10)13(19)11-8-18-6-5-12(11)14(15,16)17/h2-8H,1H3
InChIKeyMIFWZGDKRPPVOR-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.34
Rot. Bonds3

About (3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 102707522) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID102707522
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1cccc(C(=O)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO2/c1-20-10-4-2-3-9(7-10)13(19)11-8-18-6-5-12(11)14(15,16)17/h2-8H,1H3
InChIKeyMIFWZGDKRPPVOR-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

pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707550
[4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone
CID 114962483
(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709642
(6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707596
(3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782410
(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707594
(4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709294
(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707666
1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
[3-[2-(trifluoromethyl)benzoyl]phenyl] acetate
CID 24722930

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 102707522) is (3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is COc1cccc(C(=O)c2cnccc2C(F)(F)F)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is MIFWZGDKRPPVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-20-10-4-2-3-9(7-10)13(19)11-8-18-6-5-12(11)14(15,16)17/h2-8H,1H3.
What are the key properties of (3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-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 (3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 102707522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).