2-(bromomethyl)furo[3,2-b]pyridine

C8H6BrNO — CID 67757279

IUPAC2-(bromomethyl)furo[3,2-b]pyridine
SMILESBrCc1cc2ncccc2o1
InChIInChI=1S/C8H6BrNO/c9-5-6-4-7-8(11-6)2-1-3-10-7/h1-4H,5H2
InChIKeyRIYHQXHGWCMNGX-UHFFFAOYSA-N
MW212.05 g/mol
LogP2.72
Rot. Bonds1

About 2-(bromomethyl)furo[3,2-b]pyridine

2-(bromomethyl)furo[3,2-b]pyridine (PubChem CID 67757279) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 2-(bromomethyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name2-(bromomethyl)furo[3,2-b]pyridine
PubChem CID67757279
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name2-(bromomethyl)furo[3,2-b]pyridine
SMILESBrCc1cc2ncccc2o1
InChIInChI=1S/C8H6BrNO/c9-5-6-4-7-8(11-6)2-1-3-10-7/h1-4H,5H2
InChIKeyRIYHQXHGWCMNGX-UHFFFAOYSA-N
XLogP2.72
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 52.72
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)furo[3,2-b]pyridine?
The IUPAC name of 2-(bromomethyl)furo[3,2-b]pyridine (CID 67757279) is 2-(bromomethyl)furo[3,2-b]pyridine.
What is the SMILES notation for 2-(bromomethyl)furo[3,2-b]pyridine?
The canonical SMILES for 2-(bromomethyl)furo[3,2-b]pyridine is BrCc1cc2ncccc2o1.
What is the InChIKey of 2-(bromomethyl)furo[3,2-b]pyridine?
The InChIKey is RIYHQXHGWCMNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c9-5-6-4-7-8(11-6)2-1-3-10-7/h1-4H,5H2.
What are the key properties of 2-(bromomethyl)furo[3,2-b]pyridine?
2-(bromomethyl)furo[3,2-b]pyridine has a molecular weight of 212.05 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)furo[3,2-b]pyridine is sourced from PubChem (CID 67757279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).