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

C8H11Cl2N — CID 155822261

IUPAC5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride
SMILESCc1cc(C)c(CCl)cn1.Cl
InChIInChI=1S/C8H10ClN.ClH/c1-6-3-7(2)10-5-8(6)4-9;/h3,5H,4H2,1-2H3;1H
InChIKeyOPOJZEGSCPGGPQ-UHFFFAOYSA-N
MW192.09 g/mol
LogP2.86
Rot. Bonds1

About 5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride

5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride (PubChem CID 155822261) has the molecular formula C8H11Cl2N and a molecular weight of 192.09 g/mol. Its IUPAC name is 5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride
PubChem CID155822261
Molecular FormulaC8H11Cl2N
Molecular Weight192.09 g/mol
Exact Mass191.03
IUPAC Name5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride
SMILESCc1cc(C)c(CCl)cn1.Cl
InChIInChI=1S/C8H10ClN.ClH/c1-6-3-7(2)10-5-8(6)4-9;/h3,5H,4H2,1-2H3;1H
InChIKeyOPOJZEGSCPGGPQ-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 5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride?
The IUPAC name of 5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride (CID 155822261) is 5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride is Cc1cc(C)c(CCl)cn1.Cl.
What is the InChIKey of 5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride?
The InChIKey is OPOJZEGSCPGGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN.ClH/c1-6-3-7(2)10-5-8(6)4-9;/h3,5H,4H2,1-2H3;1H.
What are the key properties of 5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride?
5-(chloromethyl)-2,4-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 5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride is sourced from PubChem (CID 155822261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).