2-(chloromethyl)-3-methoxy-6-methylpyridine;hydrochloride

C8H11Cl2NO — CID 138040652

IUPAC2-(chloromethyl)-3-methoxy-6-methylpyridine;hydrochloride
SMILESCOc1ccc(C)nc1CCl.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-6-3-4-8(11-2)7(5-9)10-6;/h3-4H,5H2,1-2H3;1H
InChIKeyIJYFXPKPIXDRHH-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.56
Rot. Bonds2

About 2-(chloromethyl)-3-methoxy-6-methylpyridine;hydrochloride

2-(chloromethyl)-3-methoxy-6-methylpyridine;hydrochloride (PubChem CID 138040652) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is 2-(chloromethyl)-3-methoxy-6-methylpyridine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-3-methoxy-6-methylpyridine;hydrochloride
PubChem CID138040652
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name2-(chloromethyl)-3-methoxy-6-methylpyridine;hydrochloride
SMILESCOc1ccc(C)nc1CCl.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-6-3-4-8(11-2)7(5-9)10-6;/h3-4H,5H2,1-2H3;1H
InChIKeyIJYFXPKPIXDRHH-UHFFFAOYSA-N
XLogP2.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-3-methoxy-6-methylpyridine;hydrochloride?
The IUPAC name of 2-(chloromethyl)-3-methoxy-6-methylpyridine;hydrochloride (CID 138040652) is 2-(chloromethyl)-3-methoxy-6-methylpyridine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-3-methoxy-6-methylpyridine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-3-methoxy-6-methylpyridine;hydrochloride is COc1ccc(C)nc1CCl.Cl.
What is the InChIKey of 2-(chloromethyl)-3-methoxy-6-methylpyridine;hydrochloride?
The InChIKey is IJYFXPKPIXDRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.ClH/c1-6-3-4-8(11-2)7(5-9)10-6;/h3-4H,5H2,1-2H3;1H.
What are the key properties of 2-(chloromethyl)-3-methoxy-6-methylpyridine;hydrochloride?
2-(chloromethyl)-3-methoxy-6-methylpyridine;hydrochloride has a molecular weight of 208.09 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-methoxy-6-methylpyridine;hydrochloride is sourced from PubChem (CID 138040652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).