2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride

C8H11Cl2N — CID 67974131

IUPAC2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride
SMILESCc1cc(C)nc(CCl)c1.Cl
InChIInChI=1S/C8H10ClN.ClH/c1-6-3-7(2)10-8(4-6)5-9;/h3-4H,5H2,1-2H3;1H
InChIKeyMBVKMLLIYJFBOB-UHFFFAOYSA-N
MW192.09 g/mol
LogP2.86
Rot. Bonds1

About 2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride

2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride (PubChem CID 67974131) has the molecular formula C8H11Cl2N and a molecular weight of 192.09 g/mol. Its IUPAC name is 2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride
PubChem CID67974131
Molecular FormulaC8H11Cl2N
Molecular Weight192.09 g/mol
Exact Mass191.03
IUPAC Name2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride
SMILESCc1cc(C)nc(CCl)c1.Cl
InChIInChI=1S/C8H10ClN.ClH/c1-6-3-7(2)10-8(4-6)5-9;/h3-4H,5H2,1-2H3;1H
InChIKeyMBVKMLLIYJFBOB-UHFFFAOYSA-N
XLogP2.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.09
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride?
The IUPAC name of 2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride (CID 67974131) is 2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride is Cc1cc(C)nc(CCl)c1.Cl.
What is the InChIKey of 2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride?
The InChIKey is MBVKMLLIYJFBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN.ClH/c1-6-3-7(2)10-8(4-6)5-9;/h3-4H,5H2,1-2H3;1H.
What are the key properties of 2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride?
2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride has a molecular weight of 192.09 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4,6-dimethylpyridine;hydrochloride is sourced from PubChem (CID 67974131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).