1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone

C14H10F3NO — CID 69363818

IUPAC1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone
SMILESCc1cccc(C(=O)Cc2cc(F)c(F)cc2F)n1
InChIInChI=1S/C14H10F3NO/c1-8-3-2-4-13(18-8)14(19)6-9-5-11(16)12(17)7-10(9)15/h2-5,7H,6H2,1H3
InChIKeyKKQHIIYSGYMQBN-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.23
Rot. Bonds3

About 1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone

1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone (PubChem CID 69363818) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone
PubChem CID69363818
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone
SMILESCc1cccc(C(=O)Cc2cc(F)c(F)cc2F)n1
InChIInChI=1S/C14H10F3NO/c1-8-3-2-4-13(18-8)14(19)6-9-5-11(16)12(17)7-10(9)15/h2-5,7H,6H2,1H3
InChIKeyKKQHIIYSGYMQBN-UHFFFAOYSA-N
XLogP3.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone (CID 69363818) is 1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone is Cc1cccc(C(=O)Cc2cc(F)c(F)cc2F)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone?
The InChIKey is KKQHIIYSGYMQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c1-8-3-2-4-13(18-8)14(19)6-9-5-11(16)12(17)7-10(9)15/h2-5,7H,6H2,1H3.
What are the key properties of 1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone?
1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone has a molecular weight of 265.23 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-2-(2,4,5-trifluorophenyl)ethanone is sourced from PubChem (CID 69363818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).