2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine

C33H22ClF6N — CID 22748740

IUPAC2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFC(F)(F)c1ccc(C(c2ccccc2)c2cnc(Cl)c(C(c3ccccc3)c3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C33H22ClF6N/c34-31-28(30(22-9-5-2-6-10-22)24-13-17-27(18-14-24)33(38,39)40)19-25(20-41-31)29(21-7-3-1-4-8-21)23-11-15-26(16-12-23)32(35,36)37/h1-20,29-30H
InChIKeyXURICOYGLAIRDZ-UHFFFAOYSA-N
MW581.99 g/mol
LogP10.13
Rot. Bonds6

About 2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine

2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine (PubChem CID 22748740) has the molecular formula C33H22ClF6N and a molecular weight of 581.99 g/mol. Its IUPAC name is 2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine
PubChem CID22748740
Molecular FormulaC33H22ClF6N
Molecular Weight581.99 g/mol
Exact Mass581.13
IUPAC Name2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFC(F)(F)c1ccc(C(c2ccccc2)c2cnc(Cl)c(C(c3ccccc3)c3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C33H22ClF6N/c34-31-28(30(22-9-5-2-6-10-22)24-13-17-27(18-14-24)33(38,39)40)19-25(20-41-31)29(21-7-3-1-4-8-21)23-11-15-26(16-12-23)32(35,36)37/h1-20,29-30H
InChIKeyXURICOYGLAIRDZ-UHFFFAOYSA-N
XLogP10.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.99
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The IUPAC name of 2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine (CID 22748740) is 2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The canonical SMILES for 2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine is FC(F)(F)c1ccc(C(c2ccccc2)c2cnc(Cl)c(C(c3ccccc3)c3ccc(C(F)(F)F)cc3)c2)cc1.
What is the InChIKey of 2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The InChIKey is XURICOYGLAIRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22ClF6N/c34-31-28(30(22-9-5-2-6-10-22)24-13-17-27(18-14-24)33(38,39)40)19-25(20-41-31)29(21-7-3-1-4-8-21)23-11-15-26(16-12-23)32(35,36)37/h1-20,29-30H.
What are the key properties of 2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine?
2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine has a molecular weight of 581.99 g/mol, XLogP of 10.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,5-bis[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 22748740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).