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

C8H11Cl2NO — CID 129011223

IUPAC4-(chloromethyl)-2-methoxy-6-methylpyridine;hydrochloride
SMILESCOc1cc(CCl)cc(C)n1.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-6-3-7(5-9)4-8(10-6)11-2;/h3-4H,5H2,1-2H3;1H
InChIKeyYNEARUFXPJJQCO-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.56
Rot. Bonds2

About 4-(chloromethyl)-2-methoxy-6-methylpyridine;hydrochloride

4-(chloromethyl)-2-methoxy-6-methylpyridine;hydrochloride (PubChem CID 129011223) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methoxy-6-methylpyridine;hydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-2-methoxy-6-methylpyridine;hydrochloride
PubChem CID129011223
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name4-(chloromethyl)-2-methoxy-6-methylpyridine;hydrochloride
SMILESCOc1cc(CCl)cc(C)n1.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-6-3-7(5-9)4-8(10-6)11-2;/h3-4H,5H2,1-2H3;1H
InChIKeyYNEARUFXPJJQCO-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 4-(chloromethyl)-2-methoxy-6-methylpyridine;hydrochloride?
The IUPAC name of 4-(chloromethyl)-2-methoxy-6-methylpyridine;hydrochloride (CID 129011223) is 4-(chloromethyl)-2-methoxy-6-methylpyridine;hydrochloride.
What is the SMILES notation for 4-(chloromethyl)-2-methoxy-6-methylpyridine;hydrochloride?
The canonical SMILES for 4-(chloromethyl)-2-methoxy-6-methylpyridine;hydrochloride is COc1cc(CCl)cc(C)n1.Cl.
What is the InChIKey of 4-(chloromethyl)-2-methoxy-6-methylpyridine;hydrochloride?
The InChIKey is YNEARUFXPJJQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.ClH/c1-6-3-7(5-9)4-8(10-6)11-2;/h3-4H,5H2,1-2H3;1H.
What are the key properties of 4-(chloromethyl)-2-methoxy-6-methylpyridine;hydrochloride?
4-(chloromethyl)-2-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 4-(chloromethyl)-2-methoxy-6-methylpyridine;hydrochloride is sourced from PubChem (CID 129011223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).