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

C18H12Cl3N — CID 22768057

IUPAC3-[chloro-bis(4-chlorophenyl)methyl]pyridine
SMILESClc1ccc(C(Cl)(c2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C18H12Cl3N/c19-16-7-3-13(4-8-16)18(21,15-2-1-11-22-12-15)14-5-9-17(20)10-6-14/h1-12H
InChIKeyONEYSAJJOODYFE-UHFFFAOYSA-N
MW348.66 g/mol
LogP5.92
Rot. Bonds3

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

3-[chloro-bis(4-chlorophenyl)methyl]pyridine (PubChem CID 22768057) has the molecular formula C18H12Cl3N and a molecular weight of 348.66 g/mol. Its IUPAC name is 3-[chloro-bis(4-chlorophenyl)methyl]pyridine.

Molecular Properties

Compound Name3-[chloro-bis(4-chlorophenyl)methyl]pyridine
PubChem CID22768057
Molecular FormulaC18H12Cl3N
Molecular Weight348.66 g/mol
Exact Mass347.00
IUPAC Name3-[chloro-bis(4-chlorophenyl)methyl]pyridine
SMILESClc1ccc(C(Cl)(c2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C18H12Cl3N/c19-16-7-3-13(4-8-16)18(21,15-2-1-11-22-12-15)14-5-9-17(20)10-6-14/h1-12H
InChIKeyONEYSAJJOODYFE-UHFFFAOYSA-N
XLogP5.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.66
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[chloro-bis(4-chlorophenyl)methyl]pyridine?
The IUPAC name of 3-[chloro-bis(4-chlorophenyl)methyl]pyridine (CID 22768057) is 3-[chloro-bis(4-chlorophenyl)methyl]pyridine.
What is the SMILES notation for 3-[chloro-bis(4-chlorophenyl)methyl]pyridine?
The canonical SMILES for 3-[chloro-bis(4-chlorophenyl)methyl]pyridine is Clc1ccc(C(Cl)(c2ccc(Cl)cc2)c2cccnc2)cc1.
What is the InChIKey of 3-[chloro-bis(4-chlorophenyl)methyl]pyridine?
The InChIKey is ONEYSAJJOODYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3N/c19-16-7-3-13(4-8-16)18(21,15-2-1-11-22-12-15)14-5-9-17(20)10-6-14/h1-12H.
What are the key properties of 3-[chloro-bis(4-chlorophenyl)methyl]pyridine?
3-[chloro-bis(4-chlorophenyl)methyl]pyridine has a molecular weight of 348.66 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-bis(4-chlorophenyl)methyl]pyridine is sourced from PubChem (CID 22768057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).