2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride

C9H13Cl2NO — CID 11694258

IUPAC2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride
SMILESCOc1c(C)cnc(CCl)c1C.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-6-5-11-8(4-10)7(2)9(6)12-3;/h5H,4H2,1-3H3;1H
InChIKeyLCJDHJOUOJSJGS-UHFFFAOYSA-N
MW222.11 g/mol
LogP2.87
Rot. Bonds2

About 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride

2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride (PubChem CID 11694258) has the molecular formula C9H13Cl2NO and a molecular weight of 222.11 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride
PubChem CID11694258
Molecular FormulaC9H13Cl2NO
Molecular Weight222.11 g/mol
Exact Mass221.04
IUPAC Name2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride
SMILESCOc1c(C)cnc(CCl)c1C.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-6-5-11-8(4-10)7(2)9(6)12-3;/h5H,4H2,1-3H3;1H
InChIKeyLCJDHJOUOJSJGS-UHFFFAOYSA-N
XLogP2.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 52.87
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)-4-methoxy-3,5-dimethylpyridine;hydrochloride?
The IUPAC name of 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride (CID 11694258) is 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride is COc1c(C)cnc(CCl)c1C.Cl.
What is the InChIKey of 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride?
The InChIKey is LCJDHJOUOJSJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO.ClH/c1-6-5-11-8(4-10)7(2)9(6)12-3;/h5H,4H2,1-3H3;1H.
What are the key properties of 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride?
2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride has a molecular weight of 222.11 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride is sourced from PubChem (CID 11694258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).