2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine

C26H22ClF4NO — CID 123752475

IUPAC2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine
SMILESC=C(c1cc(C2(C)CC(OCc3ccccc3)C2)cc(-c2ccc(F)c(Cl)c2)n1)C(F)(F)F
InChIInChI=1S/C26H22ClF4NO/c1-16(26(29,30)31)23-11-19(12-24(32-23)18-8-9-22(28)21(27)10-18)25(2)13-20(14-25)33-15-17-6-4-3-5-7-17/h3-12,20H,1,13-15H2,2H3
InChIKeyMHKINDJVVDXOKQ-UHFFFAOYSA-N
MW475.91 g/mol
LogP7.75
Rot. Bonds6

About 2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine

2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine (PubChem CID 123752475) has the molecular formula C26H22ClF4NO and a molecular weight of 475.91 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine
PubChem CID123752475
Molecular FormulaC26H22ClF4NO
Molecular Weight475.91 g/mol
Exact Mass475.13
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine
SMILESC=C(c1cc(C2(C)CC(OCc3ccccc3)C2)cc(-c2ccc(F)c(Cl)c2)n1)C(F)(F)F
InChIInChI=1S/C26H22ClF4NO/c1-16(26(29,30)31)23-11-19(12-24(32-23)18-8-9-22(28)21(27)10-18)25(2)13-20(14-25)33-15-17-6-4-3-5-7-17/h3-12,20H,1,13-15H2,2H3
InChIKeyMHKINDJVVDXOKQ-UHFFFAOYSA-N
XLogP7.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.91
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)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-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine (CID 123752475) is 2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine is C=C(c1cc(C2(C)CC(OCc3ccccc3)C2)cc(-c2ccc(F)c(Cl)c2)n1)C(F)(F)F.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine?
The InChIKey is MHKINDJVVDXOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF4NO/c1-16(26(29,30)31)23-11-19(12-24(32-23)18-8-9-22(28)21(27)10-18)25(2)13-20(14-25)33-15-17-6-4-3-5-7-17/h3-12,20H,1,13-15H2,2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine?
2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine has a molecular weight of 475.91 g/mol, XLogP of 7.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4-(1-methyl-3-phenylmethoxycyclobutyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)pyridine is sourced from PubChem (CID 123752475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).