6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C10H6BrN3O — CID 82379941

IUPAC6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(-c3ccco3)n2c1
InChIInChI=1S/C10H6BrN3O/c11-7-3-4-9-12-13-10(14(9)6-7)8-2-1-5-15-8/h1-6H
InChIKeyYHHQQSMVPWPPSC-UHFFFAOYSA-N
MW264.08 g/mol
LogP2.75
Rot. Bonds1

About 6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 82379941) has the molecular formula C10H6BrN3O and a molecular weight of 264.08 g/mol. Its IUPAC name is 6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID82379941
Molecular FormulaC10H6BrN3O
Molecular Weight264.08 g/mol
Exact Mass262.97
IUPAC Name6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(-c3ccco3)n2c1
InChIInChI=1S/C10H6BrN3O/c11-7-3-4-9-12-13-10(14(9)6-7)8-2-1-5-15-8/h1-6H
InChIKeyYHHQQSMVPWPPSC-UHFFFAOYSA-N
XLogP2.75
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 82379941) is 6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is Brc1ccc2nnc(-c3ccco3)n2c1.
What is the InChIKey of 6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YHHQQSMVPWPPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O/c11-7-3-4-9-12-13-10(14(9)6-7)8-2-1-5-15-8/h1-6H.
What are the key properties of 6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 264.08 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 82379941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).