4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride

C18H14Cl3N — CID 45265107

IUPAC4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride
SMILESCl.Clc1ccc(C(c2ccncc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H13Cl2N.ClH/c19-16-5-1-13(2-6-16)18(15-9-11-21-12-10-15)14-3-7-17(20)8-4-14;/h1-12,18H;1H
InChIKeyZPCKUEFOBAOIGO-UHFFFAOYSA-N
MW350.68 g/mol
LogP5.99
Rot. Bonds3

About 4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride

4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride (PubChem CID 45265107) has the molecular formula C18H14Cl3N and a molecular weight of 350.68 g/mol. Its IUPAC name is 4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride.

Molecular Properties

Compound Name4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride
PubChem CID45265107
Molecular FormulaC18H14Cl3N
Molecular Weight350.68 g/mol
Exact Mass349.02
IUPAC Name4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride
SMILESCl.Clc1ccc(C(c2ccncc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H13Cl2N.ClH/c19-16-5-1-13(2-6-16)18(15-9-11-21-12-10-15)14-3-7-17(20)8-4-14;/h1-12,18H;1H
InChIKeyZPCKUEFOBAOIGO-UHFFFAOYSA-N
XLogP5.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.68
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride?
The IUPAC name of 4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride (CID 45265107) is 4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride.
What is the SMILES notation for 4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride?
The canonical SMILES for 4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride is Cl.Clc1ccc(C(c2ccncc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride?
The InChIKey is ZPCKUEFOBAOIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N.ClH/c19-16-5-1-13(2-6-16)18(15-9-11-21-12-10-15)14-3-7-17(20)8-4-14;/h1-12,18H;1H.
What are the key properties of 4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride?
4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride has a molecular weight of 350.68 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-chlorophenyl)methyl]pyridine;hydrochloride is sourced from PubChem (CID 45265107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).