(6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone

C14H10F3NO2 — CID 63553798

IUPAC(6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESCc1cccc(C(=O)c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C14H10F3NO2/c1-9-5-4-7-11(18-9)13(19)10-6-2-3-8-12(10)20-14(15,16)17/h2-8H,1H3
InChIKeyOZHTYLBFKFYEEH-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.52
Rot. Bonds3

About (6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone

(6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 63553798) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID63553798
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name(6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESCc1cccc(C(=O)c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C14H10F3NO2/c1-9-5-4-7-11(18-9)13(19)10-6-2-3-8-12(10)20-14(15,16)17/h2-8H,1H3
InChIKeyOZHTYLBFKFYEEH-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 105094746
pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 62789914
(3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 104799403
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 116585116
(4-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 63554344
2-(trifluoromethoxy)benzoate
CID 6933714
(4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 113370085
(6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707596
(2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 114970319
(5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 114970316
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 105094681

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone (CID 63553798) is (6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone is Cc1cccc(C(=O)c2ccccc2OC(F)(F)F)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is OZHTYLBFKFYEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-9-5-4-7-11(18-9)13(19)10-6-2-3-8-12(10)20-14(15,16)17/h2-8H,1H3.
What are the key properties of (6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone?
(6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 281.23 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 63553798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).