2-chloro-6-methylpyridine;hydrochloride

C6H7Cl2N — CID 22645126

IUPAC2-chloro-6-methylpyridine;hydrochloride
SMILESCc1cccc(Cl)n1.Cl
InChIInChI=1S/C6H6ClN.ClH/c1-5-3-2-4-6(7)8-5;/h2-4H,1H3;1H
InChIKeyBXANJDQBDHFVIU-UHFFFAOYSA-N
MW164.03 g/mol
LogP2.47
Rot. Bonds

About 2-chloro-6-methylpyridine;hydrochloride

2-chloro-6-methylpyridine;hydrochloride (PubChem CID 22645126) has the molecular formula C6H7Cl2N and a molecular weight of 164.03 g/mol. Its IUPAC name is 2-chloro-6-methylpyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-methylpyridine;hydrochloride
PubChem CID22645126
Molecular FormulaC6H7Cl2N
Molecular Weight164.03 g/mol
Exact Mass163.00
IUPAC Name2-chloro-6-methylpyridine;hydrochloride
SMILESCc1cccc(Cl)n1.Cl
InChIInChI=1S/C6H6ClN.ClH/c1-5-3-2-4-6(7)8-5;/h2-4H,1H3;1H
InChIKeyBXANJDQBDHFVIU-UHFFFAOYSA-N
XLogP2.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 52.47
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-chloro-6-methylpyridine;hydrochloride?
The IUPAC name of 2-chloro-6-methylpyridine;hydrochloride (CID 22645126) is 2-chloro-6-methylpyridine;hydrochloride.
What is the SMILES notation for 2-chloro-6-methylpyridine;hydrochloride?
The canonical SMILES for 2-chloro-6-methylpyridine;hydrochloride is Cc1cccc(Cl)n1.Cl.
What is the InChIKey of 2-chloro-6-methylpyridine;hydrochloride?
The InChIKey is BXANJDQBDHFVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN.ClH/c1-5-3-2-4-6(7)8-5;/h2-4H,1H3;1H.
What are the key properties of 2-chloro-6-methylpyridine;hydrochloride?
2-chloro-6-methylpyridine;hydrochloride has a molecular weight of 164.03 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylpyridine;hydrochloride is sourced from PubChem (CID 22645126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).