6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile

C25H17ClN2O — CID 10194245

IUPAC6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)nc1OCc1ccccc1
InChIInChI=1S/C25H17ClN2O/c26-22-13-11-20(12-14-22)24-23(19-9-5-2-6-10-19)15-21(16-27)25(28-24)29-17-18-7-3-1-4-8-18/h1-15H,17H2
InChIKeyALQIYEHKHMRAOK-UHFFFAOYSA-N
MW396.88 g/mol
LogP6.52
Rot. Bonds5

About 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile

6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile (PubChem CID 10194245) has the molecular formula C25H17ClN2O and a molecular weight of 396.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile
PubChem CID10194245
Molecular FormulaC25H17ClN2O
Molecular Weight396.88 g/mol
Exact Mass396.10
IUPAC Name6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)nc1OCc1ccccc1
InChIInChI=1S/C25H17ClN2O/c26-22-13-11-20(12-14-22)24-23(19-9-5-2-6-10-19)15-21(16-27)25(28-24)29-17-18-7-3-1-4-8-18/h1-15H,17H2
InChIKeyALQIYEHKHMRAOK-UHFFFAOYSA-N
XLogP6.52
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile (CID 10194245) is 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile is N#Cc1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)nc1OCc1ccccc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile?
The InChIKey is ALQIYEHKHMRAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2O/c26-22-13-11-20(12-14-22)24-23(19-9-5-2-6-10-19)15-21(16-27)25(28-24)29-17-18-7-3-1-4-8-18/h1-15H,17H2.
What are the key properties of 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile?
6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile has a molecular weight of 396.88 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxypyridine-3-carbonitrile is sourced from PubChem (CID 10194245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).