5-(chloromethyl)-2-methoxypyridine;hydrochloride

C7H9Cl2NO — CID 53438957

IUPAC5-(chloromethyl)-2-methoxypyridine;hydrochloride
SMILESCOc1ccc(CCl)cn1.Cl
InChIInChI=1S/C7H8ClNO.ClH/c1-10-7-3-2-6(4-8)5-9-7;/h2-3,5H,4H2,1H3;1H
InChIKeyLKRVUMSODLOUGZ-UHFFFAOYSA-N
MW194.06 g/mol
LogP2.25
Rot. Bonds2

About 5-(chloromethyl)-2-methoxypyridine;hydrochloride

5-(chloromethyl)-2-methoxypyridine;hydrochloride (PubChem CID 53438957) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methoxypyridine;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-2-methoxypyridine;hydrochloride
PubChem CID53438957
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC Name5-(chloromethyl)-2-methoxypyridine;hydrochloride
SMILESCOc1ccc(CCl)cn1.Cl
InChIInChI=1S/C7H8ClNO.ClH/c1-10-7-3-2-6(4-8)5-9-7;/h2-3,5H,4H2,1H3;1H
InChIKeyLKRVUMSODLOUGZ-UHFFFAOYSA-N
XLogP2.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 52.25
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 5-(chloromethyl)-2-methoxypyridine;hydrochloride?
The IUPAC name of 5-(chloromethyl)-2-methoxypyridine;hydrochloride (CID 53438957) is 5-(chloromethyl)-2-methoxypyridine;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-2-methoxypyridine;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-2-methoxypyridine;hydrochloride is COc1ccc(CCl)cn1.Cl.
What is the InChIKey of 5-(chloromethyl)-2-methoxypyridine;hydrochloride?
The InChIKey is LKRVUMSODLOUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO.ClH/c1-10-7-3-2-6(4-8)5-9-7;/h2-3,5H,4H2,1H3;1H.
What are the key properties of 5-(chloromethyl)-2-methoxypyridine;hydrochloride?
5-(chloromethyl)-2-methoxypyridine;hydrochloride has a molecular weight of 194.06 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-methoxypyridine;hydrochloride is sourced from PubChem (CID 53438957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).