2,6-dichloro-3-ethenylpyridine

C7H5Cl2N — CID 90062240

IUPAC2,6-dichloro-3-ethenylpyridine
SMILESC=Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C7H5Cl2N/c1-2-5-3-4-6(8)10-7(5)9/h2-4H,1H2
InChIKeyBUQNJBNZWHYJDU-UHFFFAOYSA-N
MW174.03 g/mol
LogP3.03
Rot. Bonds1

About 2,6-dichloro-3-ethenylpyridine

2,6-dichloro-3-ethenylpyridine (PubChem CID 90062240) has the molecular formula C7H5Cl2N and a molecular weight of 174.03 g/mol. Its IUPAC name is 2,6-dichloro-3-ethenylpyridine.

Molecular Properties

Compound Name2,6-dichloro-3-ethenylpyridine
PubChem CID90062240
Molecular FormulaC7H5Cl2N
Molecular Weight174.03 g/mol
Exact Mass172.98
IUPAC Name2,6-dichloro-3-ethenylpyridine
SMILESC=Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C7H5Cl2N/c1-2-5-3-4-6(8)10-7(5)9/h2-4H,1H2
InChIKeyBUQNJBNZWHYJDU-UHFFFAOYSA-N
XLogP3.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.03
LogP ≤ 53.03
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 2,6-dichloro-3-ethenylpyridine?
The IUPAC name of 2,6-dichloro-3-ethenylpyridine (CID 90062240) is 2,6-dichloro-3-ethenylpyridine.
What is the SMILES notation for 2,6-dichloro-3-ethenylpyridine?
The canonical SMILES for 2,6-dichloro-3-ethenylpyridine is C=Cc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-ethenylpyridine?
The InChIKey is BUQNJBNZWHYJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N/c1-2-5-3-4-6(8)10-7(5)9/h2-4H,1H2.
What are the key properties of 2,6-dichloro-3-ethenylpyridine?
2,6-dichloro-3-ethenylpyridine has a molecular weight of 174.03 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-ethenylpyridine is sourced from PubChem (CID 90062240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).