5-bromo-3-(chloromethyl)-2-methoxypyridine

C7H7BrClNO — CID 22678351

IUPAC5-bromo-3-(chloromethyl)-2-methoxypyridine
SMILESCOc1ncc(Br)cc1CCl
InChIInChI=1S/C7H7BrClNO/c1-11-7-5(3-9)2-6(8)4-10-7/h2,4H,3H2,1H3
InChIKeyOMZGLDIITCGQIN-UHFFFAOYSA-N
MW236.50 g/mol
LogP2.59
Rot. Bonds2

About 5-bromo-3-(chloromethyl)-2-methoxypyridine

5-bromo-3-(chloromethyl)-2-methoxypyridine (PubChem CID 22678351) has the molecular formula C7H7BrClNO and a molecular weight of 236.50 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-2-methoxypyridine.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-2-methoxypyridine
PubChem CID22678351
Molecular FormulaC7H7BrClNO
Molecular Weight236.50 g/mol
Exact Mass234.94
IUPAC Name5-bromo-3-(chloromethyl)-2-methoxypyridine
SMILESCOc1ncc(Br)cc1CCl
InChIInChI=1S/C7H7BrClNO/c1-11-7-5(3-9)2-6(8)4-10-7/h2,4H,3H2,1H3
InChIKeyOMZGLDIITCGQIN-UHFFFAOYSA-N
XLogP2.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.50
LogP ≤ 52.59
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-bromo-3-(chloromethyl)-2-methoxypyridine?
The IUPAC name of 5-bromo-3-(chloromethyl)-2-methoxypyridine (CID 22678351) is 5-bromo-3-(chloromethyl)-2-methoxypyridine.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-2-methoxypyridine?
The canonical SMILES for 5-bromo-3-(chloromethyl)-2-methoxypyridine is COc1ncc(Br)cc1CCl.
What is the InChIKey of 5-bromo-3-(chloromethyl)-2-methoxypyridine?
The InChIKey is OMZGLDIITCGQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO/c1-11-7-5(3-9)2-6(8)4-10-7/h2,4H,3H2,1H3.
What are the key properties of 5-bromo-3-(chloromethyl)-2-methoxypyridine?
5-bromo-3-(chloromethyl)-2-methoxypyridine has a molecular weight of 236.50 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-2-methoxypyridine is sourced from PubChem (CID 22678351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).