(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone

C14H10F3NO2 — CID 105098109

IUPAC(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCOc1ncccc1C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO2/c1-20-13-10(6-4-8-18-13)12(19)9-5-2-3-7-11(9)14(15,16)17/h2-8H,1H3
InChIKeyGTKBTAJELZDMRX-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.34
Rot. Bonds3

About (2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone

(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 105098109) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID105098109
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCOc1ncccc1C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO2/c1-20-13-10(6-4-8-18-13)12(19)9-5-2-3-7-11(9)14(15,16)17/h2-8H,1H3
InChIKeyGTKBTAJELZDMRX-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

(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709642
3-(2-methoxy-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 118562115
(E)-1-(2-methoxy-3-pyridinyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 118567668
methyl 2-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723742
1-(2-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 90371171
methyl 2-(trifluoromethyl)benzoate
CID 2775578
(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
CID 115605036
(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone
CID 18996933
(2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone
CID 62876172
N-(2-bromoethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107492358
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
CID 99819940

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone (CID 105098109) is (2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone is COc1ncccc1C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of (2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is GTKBTAJELZDMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-20-13-10(6-4-8-18-13)12(19)9-5-2-3-7-11(9)14(15,16)17/h2-8H,1H3.
What are the key properties of (2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone?
(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]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 (2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 105098109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).