2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine

C8H7ClF3NO — CID 83269005

IUPAC2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1cnc(Cl)cc1OCC(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c1-5-3-13-7(9)2-6(5)14-4-8(10,11)12/h2-3H,4H2,1H3
InChIKeyKAOMHOLHIWOCHQ-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.98
Rot. Bonds2

About 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine

2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 83269005) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine
PubChem CID83269005
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1cnc(Cl)cc1OCC(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c1-5-3-13-7(9)2-6(5)14-4-8(10,11)12/h2-3H,4H2,1H3
InChIKeyKAOMHOLHIWOCHQ-UHFFFAOYSA-N
XLogP2.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine 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 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine (CID 83269005) is 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine is Cc1cnc(Cl)cc1OCC(F)(F)F.
What is the InChIKey of 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is KAOMHOLHIWOCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-5-3-13-7(9)2-6(5)14-4-8(10,11)12/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 225.60 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 83269005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).