5-bromo-[1]benzofuro[2,3-c]pyridine

C11H6BrNO — CID 166801895

IUPAC5-bromo-[1]benzofuro[2,3-c]pyridine
SMILESBrc1cccc2oc3cnccc3c12
InChIInChI=1S/C11H6BrNO/c12-8-2-1-3-9-11(8)7-4-5-13-6-10(7)14-9/h1-6H
InChIKeyMWMCXEAWQWKYLH-UHFFFAOYSA-N
MW248.08 g/mol
LogP3.74
Rot. Bonds

About 5-bromo-[1]benzofuro[2,3-c]pyridine

5-bromo-[1]benzofuro[2,3-c]pyridine (PubChem CID 166801895) has the molecular formula C11H6BrNO and a molecular weight of 248.08 g/mol. Its IUPAC name is 5-bromo-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name5-bromo-[1]benzofuro[2,3-c]pyridine
PubChem CID166801895
Molecular FormulaC11H6BrNO
Molecular Weight248.08 g/mol
Exact Mass246.96
IUPAC Name5-bromo-[1]benzofuro[2,3-c]pyridine
SMILESBrc1cccc2oc3cnccc3c12
InChIInChI=1S/C11H6BrNO/c12-8-2-1-3-9-11(8)7-4-5-13-6-10(7)14-9/h1-6H
InChIKeyMWMCXEAWQWKYLH-UHFFFAOYSA-N
XLogP3.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 5-bromo-[1]benzofuro[2,3-c]pyridine (CID 166801895) is 5-bromo-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 5-bromo-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 5-bromo-[1]benzofuro[2,3-c]pyridine is Brc1cccc2oc3cnccc3c12.
What is the InChIKey of 5-bromo-[1]benzofuro[2,3-c]pyridine?
The InChIKey is MWMCXEAWQWKYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrNO/c12-8-2-1-3-9-11(8)7-4-5-13-6-10(7)14-9/h1-6H.
What are the key properties of 5-bromo-[1]benzofuro[2,3-c]pyridine?
5-bromo-[1]benzofuro[2,3-c]pyridine has a molecular weight of 248.08 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 166801895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).