2-chloro-3-(4-methylphenyl)pyridine

C12H10ClN — CID 82076857

IUPAC2-chloro-3-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2cccnc2Cl)cc1
InChIInChI=1S/C12H10ClN/c1-9-4-6-10(7-5-9)11-3-2-8-14-12(11)13/h2-8H,1H3
InChIKeyOHEVIMIHBXJERU-UHFFFAOYSA-N
MW203.67 g/mol
LogP3.71
Rot. Bonds1

About 2-chloro-3-(4-methylphenyl)pyridine

2-chloro-3-(4-methylphenyl)pyridine (PubChem CID 82076857) has the molecular formula C12H10ClN and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-chloro-3-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(4-methylphenyl)pyridine
PubChem CID82076857
Molecular FormulaC12H10ClN
Molecular Weight203.67 g/mol
Exact Mass203.05
IUPAC Name2-chloro-3-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2cccnc2Cl)cc1
InChIInChI=1S/C12H10ClN/c1-9-4-6-10(7-5-9)11-3-2-8-14-12(11)13/h2-8H,1H3
InChIKeyOHEVIMIHBXJERU-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-methylphenyl)pyridine?
The IUPAC name of 2-chloro-3-(4-methylphenyl)pyridine (CID 82076857) is 2-chloro-3-(4-methylphenyl)pyridine.
What is the SMILES notation for 2-chloro-3-(4-methylphenyl)pyridine?
The canonical SMILES for 2-chloro-3-(4-methylphenyl)pyridine is Cc1ccc(-c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-3-(4-methylphenyl)pyridine?
The InChIKey is OHEVIMIHBXJERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN/c1-9-4-6-10(7-5-9)11-3-2-8-14-12(11)13/h2-8H,1H3.
What are the key properties of 2-chloro-3-(4-methylphenyl)pyridine?
2-chloro-3-(4-methylphenyl)pyridine has a molecular weight of 203.67 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-methylphenyl)pyridine is sourced from PubChem (CID 82076857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).