2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine

C20H18ClN — CID 54458284

IUPAC2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine
SMILESCc1c(-c2ccccc2)ccc(-c2cccnc2CCl)c1C
InChIInChI=1S/C20H18ClN/c1-14-15(2)18(19-9-6-12-22-20(19)13-21)11-10-17(14)16-7-4-3-5-8-16/h3-12H,13H2,1-2H3
InChIKeyWZTHLWLCUIHPQO-UHFFFAOYSA-N
MW307.82 g/mol
LogP5.77
Rot. Bonds3

About 2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine

2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine (PubChem CID 54458284) has the molecular formula C20H18ClN and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine
PubChem CID54458284
Molecular FormulaC20H18ClN
Molecular Weight307.82 g/mol
Exact Mass307.11
IUPAC Name2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine
SMILESCc1c(-c2ccccc2)ccc(-c2cccnc2CCl)c1C
InChIInChI=1S/C20H18ClN/c1-14-15(2)18(19-9-6-12-22-20(19)13-21)11-10-17(14)16-7-4-3-5-8-16/h3-12H,13H2,1-2H3
InChIKeyWZTHLWLCUIHPQO-UHFFFAOYSA-N
XLogP5.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.82
LogP ≤ 55.77
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 2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine?
The IUPAC name of 2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine (CID 54458284) is 2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine is Cc1c(-c2ccccc2)ccc(-c2cccnc2CCl)c1C.
What is the InChIKey of 2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine?
The InChIKey is WZTHLWLCUIHPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN/c1-14-15(2)18(19-9-6-12-22-20(19)13-21)11-10-17(14)16-7-4-3-5-8-16/h3-12H,13H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine?
2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine has a molecular weight of 307.82 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2,3-dimethyl-4-phenylphenyl)pyridine is sourced from PubChem (CID 54458284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).