3-[bis(4-chlorophenyl)methyl]pyridine

C18H13Cl2N — CID 10663041

IUPAC3-[bis(4-chlorophenyl)methyl]pyridine
SMILESClc1ccc(C(c2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C18H13Cl2N/c19-16-7-3-13(4-8-16)18(15-2-1-11-21-12-15)14-5-9-17(20)10-6-14/h1-12,18H
InChIKeyAWKPVXLLPWCTIJ-UHFFFAOYSA-N
MW314.22 g/mol
LogP5.57
Rot. Bonds3

About 3-[bis(4-chlorophenyl)methyl]pyridine

3-[bis(4-chlorophenyl)methyl]pyridine (PubChem CID 10663041) has the molecular formula C18H13Cl2N and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-[bis(4-chlorophenyl)methyl]pyridine.

Molecular Properties

Compound Name3-[bis(4-chlorophenyl)methyl]pyridine
PubChem CID10663041
Molecular FormulaC18H13Cl2N
Molecular Weight314.22 g/mol
Exact Mass313.04
IUPAC Name3-[bis(4-chlorophenyl)methyl]pyridine
SMILESClc1ccc(C(c2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C18H13Cl2N/c19-16-7-3-13(4-8-16)18(15-2-1-11-21-12-15)14-5-9-17(20)10-6-14/h1-12,18H
InChIKeyAWKPVXLLPWCTIJ-UHFFFAOYSA-N
XLogP5.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.22
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-chlorophenyl)methyl]pyridine?
The IUPAC name of 3-[bis(4-chlorophenyl)methyl]pyridine (CID 10663041) is 3-[bis(4-chlorophenyl)methyl]pyridine.
What is the SMILES notation for 3-[bis(4-chlorophenyl)methyl]pyridine?
The canonical SMILES for 3-[bis(4-chlorophenyl)methyl]pyridine is Clc1ccc(C(c2ccc(Cl)cc2)c2cccnc2)cc1.
What is the InChIKey of 3-[bis(4-chlorophenyl)methyl]pyridine?
The InChIKey is AWKPVXLLPWCTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N/c19-16-7-3-13(4-8-16)18(15-2-1-11-21-12-15)14-5-9-17(20)10-6-14/h1-12,18H.
What are the key properties of 3-[bis(4-chlorophenyl)methyl]pyridine?
3-[bis(4-chlorophenyl)methyl]pyridine has a molecular weight of 314.22 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-chlorophenyl)methyl]pyridine is sourced from PubChem (CID 10663041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).