4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine

C₁₄H₁₁Cl₂N — CID 118211241

About 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine

4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine (PubChem CID 118211241) has the molecular formula C₁₄H₁₁Cl₂N and a molecular weight of 264.16 g/mol. Its IUPAC name is 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine.

Molecular Properties

• Compound Name: 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine
• PubChem CID: 118211241
• Molecular Formula: C₁₄H₁₁Cl₂N
• Molecular Weight: 264.16 g/mol
• Exact Mass: 263.03
• IUPAC Name: 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine
• SMILES: C=C(C)c1cnc(-c2cccc(Cl)c2)cc1Cl
• InChI: InChI=1S/C14H11Cl2N/c1-9(2)12-8-17-14(7-13(12)16)10-4-3-5-11(15)6-10/h3-8H,1H2,2H3
• InChIKey: JMQHBXIWZWQSCT-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	264.16
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine?

The IUPAC name of 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine (CID 118211241) is 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine.

What is the SMILES notation for 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine?

The canonical SMILES for 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine is C=C(C)c1cnc(-c2cccc(Cl)c2)cc1Cl.

What is the InChIKey of 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine?

The InChIKey is JMQHBXIWZWQSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N/c1-9(2)12-8-17-14(7-13(12)16)10-4-3-5-11(15)6-10/h3-8H,1H2,2H3.

What are the key properties of 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine?

4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine has a molecular weight of 264.16 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine is sourced from PubChem (CID 118211241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118211241 — identifiers, structure, computed properties (public domain)

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