3-bromo-5,7-dihydrofuro[3,4-b]pyridine

C7H6BrNO — CID 82397541

IUPAC3-bromo-5,7-dihydrofuro[3,4-b]pyridine
SMILESBrc1cnc2c(c1)COC2
InChIInChI=1S/C7H6BrNO/c8-6-1-5-3-10-4-7(5)9-2-6/h1-2H,3-4H2
InChIKeyXOVAGIOSWDHHFA-UHFFFAOYSA-N
MW200.03 g/mol
LogP1.87
Rot. Bonds

About 3-bromo-5,7-dihydrofuro[3,4-b]pyridine

3-bromo-5,7-dihydrofuro[3,4-b]pyridine (PubChem CID 82397541) has the molecular formula C7H6BrNO and a molecular weight of 200.03 g/mol. Its IUPAC name is 3-bromo-5,7-dihydrofuro[3,4-b]pyridine.

Molecular Properties

Compound Name3-bromo-5,7-dihydrofuro[3,4-b]pyridine
PubChem CID82397541
Molecular FormulaC7H6BrNO
Molecular Weight200.03 g/mol
Exact Mass198.96
IUPAC Name3-bromo-5,7-dihydrofuro[3,4-b]pyridine
SMILESBrc1cnc2c(c1)COC2
InChIInChI=1S/C7H6BrNO/c8-6-1-5-3-10-4-7(5)9-2-6/h1-2H,3-4H2
InChIKeyXOVAGIOSWDHHFA-UHFFFAOYSA-N
XLogP1.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.03
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,7-dihydrofuro[3,4-b]pyridine?
The IUPAC name of 3-bromo-5,7-dihydrofuro[3,4-b]pyridine (CID 82397541) is 3-bromo-5,7-dihydrofuro[3,4-b]pyridine.
What is the SMILES notation for 3-bromo-5,7-dihydrofuro[3,4-b]pyridine?
The canonical SMILES for 3-bromo-5,7-dihydrofuro[3,4-b]pyridine is Brc1cnc2c(c1)COC2.
What is the InChIKey of 3-bromo-5,7-dihydrofuro[3,4-b]pyridine?
The InChIKey is XOVAGIOSWDHHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c8-6-1-5-3-10-4-7(5)9-2-6/h1-2H,3-4H2.
What are the key properties of 3-bromo-5,7-dihydrofuro[3,4-b]pyridine?
3-bromo-5,7-dihydrofuro[3,4-b]pyridine has a molecular weight of 200.03 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,7-dihydrofuro[3,4-b]pyridine is sourced from PubChem (CID 82397541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).