5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine

C11H5BrClNO — CID 166801450

IUPAC5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine
SMILESClc1ccc2oc3ncccc3c2c1Br
InChIInChI=1S/C11H5BrClNO/c12-10-7(13)3-4-8-9(10)6-2-1-5-14-11(6)15-8/h1-5H
InChIKeySJRVYYTWNZMJRD-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.40
Rot. Bonds

About 5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine

5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine (PubChem CID 166801450) has the molecular formula C11H5BrClNO and a molecular weight of 282.52 g/mol. Its IUPAC name is 5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine
PubChem CID166801450
Molecular FormulaC11H5BrClNO
Molecular Weight282.52 g/mol
Exact Mass280.92
IUPAC Name5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine
SMILESClc1ccc2oc3ncccc3c2c1Br
InChIInChI=1S/C11H5BrClNO/c12-10-7(13)3-4-8-9(10)6-2-1-5-14-11(6)15-8/h1-5H
InChIKeySJRVYYTWNZMJRD-UHFFFAOYSA-N
XLogP4.40
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine (CID 166801450) is 5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine is Clc1ccc2oc3ncccc3c2c1Br.
What is the InChIKey of 5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine?
The InChIKey is SJRVYYTWNZMJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClNO/c12-10-7(13)3-4-8-9(10)6-2-1-5-14-11(6)15-8/h1-5H.
What are the key properties of 5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine?
5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine has a molecular weight of 282.52 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 166801450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).