(5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone

C14H10F3NO2 — CID 115791642

IUPAC(5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESCc1cncc(C(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F3NO2/c1-9-6-11(8-18-7-9)13(19)10-2-4-12(5-3-10)20-14(15,16)17/h2-8H,1H3
InChIKeyZXCFOIRXYQIXRP-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.52
Rot. Bonds3

About (5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone

(5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 115791642) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID115791642
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name(5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESCc1cncc(C(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F3NO2/c1-9-6-11(8-18-7-9)13(19)10-2-4-12(5-3-10)20-14(15,16)17/h2-8H,1H3
InChIKeyZXCFOIRXYQIXRP-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

(3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116628415
pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 68682751
(5-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103449
(5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone
CID 113297046
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115374080
pyridine;4-[4-(trifluoromethoxy)benzoyl]benzamide
CID 155345914
(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 53414396
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
(3-ethylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 105120270
(2-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373956

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone (CID 115791642) is (5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone is Cc1cncc(C(=O)c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is ZXCFOIRXYQIXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-9-6-11(8-18-7-9)13(19)10-2-4-12(5-3-10)20-14(15,16)17/h2-8H,1H3.
What are the key properties of (5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone?
(5-methyl-3-pyridinyl)-[4-(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 (5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 115791642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).