6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine

C17H16ClF2NO — CID 166783131

IUPAC6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine
SMILESC=C(C)COc1c(CC)cc(Cl)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C17H16ClF2NO/c1-4-11-8-15(18)21-16(17(11)22-9-10(2)3)12-5-6-13(19)14(20)7-12/h5-8H,2,4,9H2,1,3H3
InChIKeyCJZKWPXUEFCMGG-UHFFFAOYSA-N
MW323.77 g/mol
LogP5.20
Rot. Bonds5

About 6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine

6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine (PubChem CID 166783131) has the molecular formula C17H16ClF2NO and a molecular weight of 323.77 g/mol. Its IUPAC name is 6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine.

Molecular Properties

Compound Name6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine
PubChem CID166783131
Molecular FormulaC17H16ClF2NO
Molecular Weight323.77 g/mol
Exact Mass323.09
IUPAC Name6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine
SMILESC=C(C)COc1c(CC)cc(Cl)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C17H16ClF2NO/c1-4-11-8-15(18)21-16(17(11)22-9-10(2)3)12-5-6-13(19)14(20)7-12/h5-8H,2,4,9H2,1,3H3
InChIKeyCJZKWPXUEFCMGG-UHFFFAOYSA-N
XLogP5.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.77
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)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 6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine?
The IUPAC name of 6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine (CID 166783131) is 6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine.
What is the SMILES notation for 6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine?
The canonical SMILES for 6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine is C=C(C)COc1c(CC)cc(Cl)nc1-c1ccc(F)c(F)c1.
What is the InChIKey of 6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine?
The InChIKey is CJZKWPXUEFCMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO/c1-4-11-8-15(18)21-16(17(11)22-9-10(2)3)12-5-6-13(19)14(20)7-12/h5-8H,2,4,9H2,1,3H3.
What are the key properties of 6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine?
6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine has a molecular weight of 323.77 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,4-difluorophenyl)-4-ethyl-3-(2-methylprop-2-enoxy)pyridine is sourced from PubChem (CID 166783131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).