2,3-dichloro-4-methylpyridine

C6H5Cl2N — CID 18930251

IUPAC2,3-dichloro-4-methylpyridine
SMILESCc1ccnc(Cl)c1Cl
InChIInChI=1S/C6H5Cl2N/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3
InChIKeyLJRXSWAYTGAJHV-UHFFFAOYSA-N
MW162.02 g/mol
LogP2.70
Rot. Bonds

About 2,3-dichloro-4-methylpyridine

2,3-dichloro-4-methylpyridine (PubChem CID 18930251) has the molecular formula C6H5Cl2N and a molecular weight of 162.02 g/mol. Its IUPAC name is 2,3-dichloro-4-methylpyridine.

Molecular Properties

Compound Name2,3-dichloro-4-methylpyridine
PubChem CID18930251
Molecular FormulaC6H5Cl2N
Molecular Weight162.02 g/mol
Exact Mass160.98
IUPAC Name2,3-dichloro-4-methylpyridine
SMILESCc1ccnc(Cl)c1Cl
InChIInChI=1S/C6H5Cl2N/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3
InChIKeyLJRXSWAYTGAJHV-UHFFFAOYSA-N
XLogP2.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.02
LogP ≤ 52.70
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 2,3-dichloro-4-methylpyridine?
The IUPAC name of 2,3-dichloro-4-methylpyridine (CID 18930251) is 2,3-dichloro-4-methylpyridine.
What is the SMILES notation for 2,3-dichloro-4-methylpyridine?
The canonical SMILES for 2,3-dichloro-4-methylpyridine is Cc1ccnc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-methylpyridine?
The InChIKey is LJRXSWAYTGAJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3.
What are the key properties of 2,3-dichloro-4-methylpyridine?
2,3-dichloro-4-methylpyridine has a molecular weight of 162.02 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-methylpyridine is sourced from PubChem (CID 18930251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).