3-bromo-[1,2]oxazolo[5,4-c]pyridine

C6H3BrN2O — CID 84668629

IUPAC3-bromo-[1,2]oxazolo[5,4-c]pyridine
SMILESBrc1noc2cnccc12
InChIInChI=1S/C6H3BrN2O/c7-6-4-1-2-8-3-5(4)10-9-6/h1-3H
InChIKeyBCNPYFFZJVKRHJ-UHFFFAOYSA-N
MW199.01 g/mol
LogP1.99
Rot. Bonds

About 3-bromo-[1,2]oxazolo[5,4-c]pyridine

3-bromo-[1,2]oxazolo[5,4-c]pyridine (PubChem CID 84668629) has the molecular formula C6H3BrN2O and a molecular weight of 199.01 g/mol. Its IUPAC name is 3-bromo-[1,2]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-bromo-[1,2]oxazolo[5,4-c]pyridine
PubChem CID84668629
Molecular FormulaC6H3BrN2O
Molecular Weight199.01 g/mol
Exact Mass197.94
IUPAC Name3-bromo-[1,2]oxazolo[5,4-c]pyridine
SMILESBrc1noc2cnccc12
InChIInChI=1S/C6H3BrN2O/c7-6-4-1-2-8-3-5(4)10-9-6/h1-3H
InChIKeyBCNPYFFZJVKRHJ-UHFFFAOYSA-N
XLogP1.99
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-[1,2]oxazolo[5,4-c]pyridine?
The IUPAC name of 3-bromo-[1,2]oxazolo[5,4-c]pyridine (CID 84668629) is 3-bromo-[1,2]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 3-bromo-[1,2]oxazolo[5,4-c]pyridine?
The canonical SMILES for 3-bromo-[1,2]oxazolo[5,4-c]pyridine is Brc1noc2cnccc12.
What is the InChIKey of 3-bromo-[1,2]oxazolo[5,4-c]pyridine?
The InChIKey is BCNPYFFZJVKRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O/c7-6-4-1-2-8-3-5(4)10-9-6/h1-3H.
What are the key properties of 3-bromo-[1,2]oxazolo[5,4-c]pyridine?
3-bromo-[1,2]oxazolo[5,4-c]pyridine has a molecular weight of 199.01 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-[1,2]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 84668629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).