[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone

C12H6ClF3N2O — CID 1483324

IUPAC[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H6ClF3N2O/c13-8-5-7(12(14,15)16)6-18-10(8)11(19)9-3-1-2-4-17-9/h1-6H
InChIKeyPHUWZGDUADHTOD-UHFFFAOYSA-N
MW286.64 g/mol
LogP3.38
Rot. Bonds2

About [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone

[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone (PubChem CID 1483324) has the molecular formula C12H6ClF3N2O and a molecular weight of 286.64 g/mol. Its IUPAC name is [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone
PubChem CID1483324
Molecular FormulaC12H6ClF3N2O
Molecular Weight286.64 g/mol
Exact Mass286.01
IUPAC Name[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H6ClF3N2O/c13-8-5-7(12(14,15)16)6-18-10(8)11(19)9-3-1-2-4-17-9/h1-6H
InChIKeyPHUWZGDUADHTOD-UHFFFAOYSA-N
XLogP3.38
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.64
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone 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 [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone?
The IUPAC name of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone (CID 1483324) is [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone is O=C(c1ccccn1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone?
The InChIKey is PHUWZGDUADHTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O/c13-8-5-7(12(14,15)16)6-18-10(8)11(19)9-3-1-2-4-17-9/h1-6H.
What are the key properties of [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone?
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone has a molecular weight of 286.64 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 1483324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).