2,6-dichloro-3-methylpyridine;hydrochloride

C6H6Cl3N — CID 45382145

IUPAC2,6-dichloro-3-methylpyridine;hydrochloride
SMILESCc1ccc(Cl)nc1Cl.Cl
InChIInChI=1S/C6H5Cl2N.ClH/c1-4-2-3-5(7)9-6(4)8;/h2-3H,1H3;1H
InChIKeyAONUASSBCUODCJ-UHFFFAOYSA-N
MW198.48 g/mol
LogP3.12
Rot. Bonds

About 2,6-dichloro-3-methylpyridine;hydrochloride

2,6-dichloro-3-methylpyridine;hydrochloride (PubChem CID 45382145) has the molecular formula C6H6Cl3N and a molecular weight of 198.48 g/mol. Its IUPAC name is 2,6-dichloro-3-methylpyridine;hydrochloride.

Molecular Properties

Compound Name2,6-dichloro-3-methylpyridine;hydrochloride
PubChem CID45382145
Molecular FormulaC6H6Cl3N
Molecular Weight198.48 g/mol
Exact Mass196.96
IUPAC Name2,6-dichloro-3-methylpyridine;hydrochloride
SMILESCc1ccc(Cl)nc1Cl.Cl
InChIInChI=1S/C6H5Cl2N.ClH/c1-4-2-3-5(7)9-6(4)8;/h2-3H,1H3;1H
InChIKeyAONUASSBCUODCJ-UHFFFAOYSA-N
XLogP3.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.48
LogP ≤ 53.12
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-methylpyridine;hydrochloride?
The IUPAC name of 2,6-dichloro-3-methylpyridine;hydrochloride (CID 45382145) is 2,6-dichloro-3-methylpyridine;hydrochloride.
What is the SMILES notation for 2,6-dichloro-3-methylpyridine;hydrochloride?
The canonical SMILES for 2,6-dichloro-3-methylpyridine;hydrochloride is Cc1ccc(Cl)nc1Cl.Cl.
What is the InChIKey of 2,6-dichloro-3-methylpyridine;hydrochloride?
The InChIKey is AONUASSBCUODCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N.ClH/c1-4-2-3-5(7)9-6(4)8;/h2-3H,1H3;1H.
What are the key properties of 2,6-dichloro-3-methylpyridine;hydrochloride?
2,6-dichloro-3-methylpyridine;hydrochloride has a molecular weight of 198.48 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-methylpyridine;hydrochloride is sourced from PubChem (CID 45382145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).