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

C13H12ClN — CID 82079165

IUPAC2-chloro-3-(4-ethylphenyl)pyridine
SMILESCCc1ccc(-c2cccnc2Cl)cc1
InChIInChI=1S/C13H12ClN/c1-2-10-5-7-11(8-6-10)12-4-3-9-15-13(12)14/h3-9H,2H2,1H3
InChIKeyKQEBPPBONHYZAY-UHFFFAOYSA-N
MW217.70 g/mol
LogP3.96
Rot. Bonds2

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

2-chloro-3-(4-ethylphenyl)pyridine (PubChem CID 82079165) has the molecular formula C13H12ClN and a molecular weight of 217.70 g/mol. Its IUPAC name is 2-chloro-3-(4-ethylphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(4-ethylphenyl)pyridine
PubChem CID82079165
Molecular FormulaC13H12ClN
Molecular Weight217.70 g/mol
Exact Mass217.07
IUPAC Name2-chloro-3-(4-ethylphenyl)pyridine
SMILESCCc1ccc(-c2cccnc2Cl)cc1
InChIInChI=1S/C13H12ClN/c1-2-10-5-7-11(8-6-10)12-4-3-9-15-13(12)14/h3-9H,2H2,1H3
InChIKeyKQEBPPBONHYZAY-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 53.96
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-ethylphenyl)pyridine?
The IUPAC name of 2-chloro-3-(4-ethylphenyl)pyridine (CID 82079165) is 2-chloro-3-(4-ethylphenyl)pyridine.
What is the SMILES notation for 2-chloro-3-(4-ethylphenyl)pyridine?
The canonical SMILES for 2-chloro-3-(4-ethylphenyl)pyridine is CCc1ccc(-c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-3-(4-ethylphenyl)pyridine?
The InChIKey is KQEBPPBONHYZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN/c1-2-10-5-7-11(8-6-10)12-4-3-9-15-13(12)14/h3-9H,2H2,1H3.
What are the key properties of 2-chloro-3-(4-ethylphenyl)pyridine?
2-chloro-3-(4-ethylphenyl)pyridine has a molecular weight of 217.70 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-ethylphenyl)pyridine is sourced from PubChem (CID 82079165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).