3-bromo-5-(bromomethyl)furo[2,3-b]pyridine

C8H5Br2NO — CID 133062246

IUPAC3-bromo-5-(bromomethyl)furo[2,3-b]pyridine
SMILESBrCc1cnc2occ(Br)c2c1
InChIInChI=1S/C8H5Br2NO/c9-2-5-1-6-7(10)4-12-8(6)11-3-5/h1,3-4H,2H2
InChIKeyOQZNHZXPJQPEJR-UHFFFAOYSA-N
MW290.94 g/mol
LogP3.49
Rot. Bonds1

About 3-bromo-5-(bromomethyl)furo[2,3-b]pyridine

3-bromo-5-(bromomethyl)furo[2,3-b]pyridine (PubChem CID 133062246) has the molecular formula C8H5Br2NO and a molecular weight of 290.94 g/mol. Its IUPAC name is 3-bromo-5-(bromomethyl)furo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-5-(bromomethyl)furo[2,3-b]pyridine
PubChem CID133062246
Molecular FormulaC8H5Br2NO
Molecular Weight290.94 g/mol
Exact Mass288.87
IUPAC Name3-bromo-5-(bromomethyl)furo[2,3-b]pyridine
SMILESBrCc1cnc2occ(Br)c2c1
InChIInChI=1S/C8H5Br2NO/c9-2-5-1-6-7(10)4-12-8(6)11-3-5/h1,3-4H,2H2
InChIKeyOQZNHZXPJQPEJR-UHFFFAOYSA-N
XLogP3.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.94
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-2-chlorofuro[2,3-b]pyridine
CID 133057910
5-bromo-2-chlorofuro[2,3-d]pyrimidine
CID 84697174
12-(chloromethyl)-8-oxa-10-azatricyclo[7.4.0.02,6]trideca-1(9),2,4,6,10,12-hexaene
CID 70624212
3-(bromomethyl)-5-methylquinoline
CID 118482405
5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 123704629
6,7-dibromo-3-(bromomethyl)quinoline-5,8-dione
CID 142652534
5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 134661690
7-bromofuro[2,3-b]pyrazine-2-carboxylic acid
CID 118656901
3-bromo-2-chloro-5-(chloromethyl)pyridine
CID 24990433
6-bromo-4-phosphanylidenepyrano[2,3-b]pyridine-3-carbonitrile
CID 130293149
5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine
CID 130095506
5-(bromomethyl)-2,3-dichloropyridine;(5,6-dichloro-3-pyridinyl)methanol
CID 158882094

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(bromomethyl)furo[2,3-b]pyridine?
The IUPAC name of 3-bromo-5-(bromomethyl)furo[2,3-b]pyridine (CID 133062246) is 3-bromo-5-(bromomethyl)furo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-5-(bromomethyl)furo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-5-(bromomethyl)furo[2,3-b]pyridine is BrCc1cnc2occ(Br)c2c1.
What is the InChIKey of 3-bromo-5-(bromomethyl)furo[2,3-b]pyridine?
The InChIKey is OQZNHZXPJQPEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2NO/c9-2-5-1-6-7(10)4-12-8(6)11-3-5/h1,3-4H,2H2.
What are the key properties of 3-bromo-5-(bromomethyl)furo[2,3-b]pyridine?
3-bromo-5-(bromomethyl)furo[2,3-b]pyridine has a molecular weight of 290.94 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(bromomethyl)furo[2,3-b]pyridine is sourced from PubChem (CID 133062246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).