2-(chloromethyl)-4-methoxypyridine

C7H8ClNO — CID 10487136

IUPAC2-(chloromethyl)-4-methoxypyridine
SMILESCOc1ccnc(CCl)c1
InChIInChI=1S/C7H8ClNO/c1-10-7-2-3-9-6(4-7)5-8/h2-4H,5H2,1H3
InChIKeyUODFFWGYSJVFCZ-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.83
Rot. Bonds2

About 2-(chloromethyl)-4-methoxypyridine

2-(chloromethyl)-4-methoxypyridine (PubChem CID 10487136) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methoxypyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-methoxypyridine
PubChem CID10487136
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name2-(chloromethyl)-4-methoxypyridine
SMILESCOc1ccnc(CCl)c1
InChIInChI=1S/C7H8ClNO/c1-10-7-2-3-9-6(4-7)5-8/h2-4H,5H2,1H3
InChIKeyUODFFWGYSJVFCZ-UHFFFAOYSA-N
XLogP1.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.83
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-methoxypyridine?
The IUPAC name of 2-(chloromethyl)-4-methoxypyridine (CID 10487136) is 2-(chloromethyl)-4-methoxypyridine.
What is the SMILES notation for 2-(chloromethyl)-4-methoxypyridine?
The canonical SMILES for 2-(chloromethyl)-4-methoxypyridine is COc1ccnc(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-4-methoxypyridine?
The InChIKey is UODFFWGYSJVFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-10-7-2-3-9-6(4-7)5-8/h2-4H,5H2,1H3.
What are the key properties of 2-(chloromethyl)-4-methoxypyridine?
2-(chloromethyl)-4-methoxypyridine has a molecular weight of 157.60 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methoxypyridine is sourced from PubChem (CID 10487136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).