5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride

C7H13Cl2N — CID 14615850

IUPAC5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCN1CCC=C(CCl)C1.Cl
InChIInChI=1S/C7H12ClN.ClH/c1-9-4-2-3-7(5-8)6-9;/h3H,2,4-6H2,1H3;1H
InChIKeyFUZGYEFDEQTVID-UHFFFAOYSA-N
MW182.09 g/mol
LogP1.91
Rot. Bonds1

About 5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride

5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride (PubChem CID 14615850) has the molecular formula C7H13Cl2N and a molecular weight of 182.09 g/mol. Its IUPAC name is 5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride
PubChem CID14615850
Molecular FormulaC7H13Cl2N
Molecular Weight182.09 g/mol
Exact Mass181.04
IUPAC Name5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCN1CCC=C(CCl)C1.Cl
InChIInChI=1S/C7H12ClN.ClH/c1-9-4-2-3-7(5-8)6-9;/h3H,2,4-6H2,1H3;1H
InChIKeyFUZGYEFDEQTVID-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.09
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride?
The IUPAC name of 5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride (CID 14615850) is 5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride is CN1CCC=C(CCl)C1.Cl.
What is the InChIKey of 5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride?
The InChIKey is FUZGYEFDEQTVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN.ClH/c1-9-4-2-3-7(5-8)6-9;/h3H,2,4-6H2,1H3;1H.
What are the key properties of 5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride?
5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride has a molecular weight of 182.09 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride is sourced from PubChem (CID 14615850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).