2-chloro-3,5-dimethylpyridine;hydrochloride

C7H9Cl2N — CID 174570107

IUPAC2-chloro-3,5-dimethylpyridine;hydrochloride
SMILESCc1cnc(Cl)c(C)c1.Cl
InChIInChI=1S/C7H8ClN.ClH/c1-5-3-6(2)7(8)9-4-5;/h3-4H,1-2H3;1H
InChIKeyMHDOXPZLIWVQPA-UHFFFAOYSA-N
MW178.06 g/mol
LogP2.77
Rot. Bonds

About 2-chloro-3,5-dimethylpyridine;hydrochloride

2-chloro-3,5-dimethylpyridine;hydrochloride (PubChem CID 174570107) has the molecular formula C7H9Cl2N and a molecular weight of 178.06 g/mol. Its IUPAC name is 2-chloro-3,5-dimethylpyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-3,5-dimethylpyridine;hydrochloride
PubChem CID174570107
Molecular FormulaC7H9Cl2N
Molecular Weight178.06 g/mol
Exact Mass177.01
IUPAC Name2-chloro-3,5-dimethylpyridine;hydrochloride
SMILESCc1cnc(Cl)c(C)c1.Cl
InChIInChI=1S/C7H8ClN.ClH/c1-5-3-6(2)7(8)9-4-5;/h3-4H,1-2H3;1H
InChIKeyMHDOXPZLIWVQPA-UHFFFAOYSA-N
XLogP2.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 52.77
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-3,5-dimethylpyridine;hydrochloride?
The IUPAC name of 2-chloro-3,5-dimethylpyridine;hydrochloride (CID 174570107) is 2-chloro-3,5-dimethylpyridine;hydrochloride.
What is the SMILES notation for 2-chloro-3,5-dimethylpyridine;hydrochloride?
The canonical SMILES for 2-chloro-3,5-dimethylpyridine;hydrochloride is Cc1cnc(Cl)c(C)c1.Cl.
What is the InChIKey of 2-chloro-3,5-dimethylpyridine;hydrochloride?
The InChIKey is MHDOXPZLIWVQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN.ClH/c1-5-3-6(2)7(8)9-4-5;/h3-4H,1-2H3;1H.
What are the key properties of 2-chloro-3,5-dimethylpyridine;hydrochloride?
2-chloro-3,5-dimethylpyridine;hydrochloride has a molecular weight of 178.06 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,5-dimethylpyridine;hydrochloride is sourced from PubChem (CID 174570107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).