3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine

C9H8BrNO2 — CID 19703011

IUPAC3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine
SMILESCOc1nccc2c(CBr)coc12
InChIInChI=1S/C9H8BrNO2/c1-12-9-8-7(2-3-11-9)6(4-10)5-13-8/h2-3,5H,4H2,1H3
InChIKeyLZTICJAXGGFUCH-UHFFFAOYSA-N
MW242.07 g/mol
LogP2.73
Rot. Bonds2

About 3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine

3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine (PubChem CID 19703011) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine
PubChem CID19703011
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine
SMILESCOc1nccc2c(CBr)coc12
InChIInChI=1S/C9H8BrNO2/c1-12-9-8-7(2-3-11-9)6(4-10)5-13-8/h2-3,5H,4H2,1H3
InChIKeyLZTICJAXGGFUCH-UHFFFAOYSA-N
XLogP2.73
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine?
The IUPAC name of 3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine (CID 19703011) is 3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine.
What is the SMILES notation for 3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine?
The canonical SMILES for 3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine is COc1nccc2c(CBr)coc12.
What is the InChIKey of 3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine?
The InChIKey is LZTICJAXGGFUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c1-12-9-8-7(2-3-11-9)6(4-10)5-13-8/h2-3,5H,4H2,1H3.
What are the key properties of 3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine?
3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine has a molecular weight of 242.07 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-7-methoxyfuro[2,3-c]pyridine is sourced from PubChem (CID 19703011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).