2-(bromomethyl)-6-methoxypyridine

C7H8BrNO — CID 10081550

IUPAC2-(bromomethyl)-6-methoxypyridine
SMILESCOc1cccc(CBr)n1
InChIInChI=1S/C7H8BrNO/c1-10-7-4-2-3-6(5-8)9-7/h2-4H,5H2,1H3
InChIKeyXHWDFGQAXHSIMH-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.99
Rot. Bonds2

About 2-(bromomethyl)-6-methoxypyridine

2-(bromomethyl)-6-methoxypyridine (PubChem CID 10081550) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methoxypyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-methoxypyridine
PubChem CID10081550
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name2-(bromomethyl)-6-methoxypyridine
SMILESCOc1cccc(CBr)n1
InChIInChI=1S/C7H8BrNO/c1-10-7-4-2-3-6(5-8)9-7/h2-4H,5H2,1H3
InChIKeyXHWDFGQAXHSIMH-UHFFFAOYSA-N
XLogP1.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.99
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-(bromomethyl)-6-methoxypyridine?
The IUPAC name of 2-(bromomethyl)-6-methoxypyridine (CID 10081550) is 2-(bromomethyl)-6-methoxypyridine.
What is the SMILES notation for 2-(bromomethyl)-6-methoxypyridine?
The canonical SMILES for 2-(bromomethyl)-6-methoxypyridine is COc1cccc(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-6-methoxypyridine?
The InChIKey is XHWDFGQAXHSIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-10-7-4-2-3-6(5-8)9-7/h2-4H,5H2,1H3.
What are the key properties of 2-(bromomethyl)-6-methoxypyridine?
2-(bromomethyl)-6-methoxypyridine has a molecular weight of 202.05 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-methoxypyridine is sourced from PubChem (CID 10081550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).