2-chloro-6-(3-chloroprop-1-enyl)pyridine

C8H7Cl2N — CID 57316701

IUPAC2-chloro-6-(3-chloroprop-1-enyl)pyridine
SMILESClCC=Cc1cccc(Cl)n1
InChIInChI=1S/C8H7Cl2N/c9-6-2-4-7-3-1-5-8(10)11-7/h1-5H,6H2
InChIKeyJWAMIFSDCSCCIB-UHFFFAOYSA-N
MW188.06 g/mol
LogP2.99
Rot. Bonds2

About 2-chloro-6-(3-chloroprop-1-enyl)pyridine

2-chloro-6-(3-chloroprop-1-enyl)pyridine (PubChem CID 57316701) has the molecular formula C8H7Cl2N and a molecular weight of 188.06 g/mol. Its IUPAC name is 2-chloro-6-(3-chloroprop-1-enyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3-chloroprop-1-enyl)pyridine
PubChem CID57316701
Molecular FormulaC8H7Cl2N
Molecular Weight188.06 g/mol
Exact Mass187.00
IUPAC Name2-chloro-6-(3-chloroprop-1-enyl)pyridine
SMILESClCC=Cc1cccc(Cl)n1
InChIInChI=1S/C8H7Cl2N/c9-6-2-4-7-3-1-5-8(10)11-7/h1-5H,6H2
InChIKeyJWAMIFSDCSCCIB-UHFFFAOYSA-N
XLogP2.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.06
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-chloroprop-1-enyl)pyridine?
The IUPAC name of 2-chloro-6-(3-chloroprop-1-enyl)pyridine (CID 57316701) is 2-chloro-6-(3-chloroprop-1-enyl)pyridine.
What is the SMILES notation for 2-chloro-6-(3-chloroprop-1-enyl)pyridine?
The canonical SMILES for 2-chloro-6-(3-chloroprop-1-enyl)pyridine is ClCC=Cc1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-(3-chloroprop-1-enyl)pyridine?
The InChIKey is JWAMIFSDCSCCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N/c9-6-2-4-7-3-1-5-8(10)11-7/h1-5H,6H2.
What are the key properties of 2-chloro-6-(3-chloroprop-1-enyl)pyridine?
2-chloro-6-(3-chloroprop-1-enyl)pyridine has a molecular weight of 188.06 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-chloroprop-1-enyl)pyridine is sourced from PubChem (CID 57316701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).