2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine

C14H10ClN — CID 18763270

IUPAC2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine
SMILESCc1cccc(C#Cc2cccc(Cl)c2)n1
InChIInChI=1S/C14H10ClN/c1-11-4-2-7-14(16-11)9-8-12-5-3-6-13(15)10-12/h2-7,10H,1H3
InChIKeyPHMIEAGFDRJBOP-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.44
Rot. Bonds

About 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine

2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine (PubChem CID 18763270) has the molecular formula C14H10ClN and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine
PubChem CID18763270
Molecular FormulaC14H10ClN
Molecular Weight227.69 g/mol
Exact Mass227.05
IUPAC Name2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine
SMILESCc1cccc(C#Cc2cccc(Cl)c2)n1
InChIInChI=1S/C14H10ClN/c1-11-4-2-7-14(16-11)9-8-12-5-3-6-13(15)10-12/h2-7,10H,1H3
InChIKeyPHMIEAGFDRJBOP-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine?
The IUPAC name of 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine (CID 18763270) is 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine is Cc1cccc(C#Cc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine?
The InChIKey is PHMIEAGFDRJBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN/c1-11-4-2-7-14(16-11)9-8-12-5-3-6-13(15)10-12/h2-7,10H,1H3.
What are the key properties of 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine?
2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine has a molecular weight of 227.69 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethynyl]-6-methylpyridine is sourced from PubChem (CID 18763270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).