6-bromo-[1,3]oxazolo[5,4-b]pyridine

C6H3BrN2O — CID 55252641

IUPAC6-bromo-[1,3]oxazolo[5,4-b]pyridine
SMILESBrc1cnc2ocnc2c1
InChIInChI=1S/C6H3BrN2O/c7-4-1-5-6(8-2-4)10-3-9-5/h1-3H
InChIKeyZFNFJJDYESCFHJ-UHFFFAOYSA-N
MW199.01 g/mol
LogP1.99
Rot. Bonds

About 6-bromo-[1,3]oxazolo[5,4-b]pyridine

6-bromo-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 55252641) has the molecular formula C6H3BrN2O and a molecular weight of 199.01 g/mol. Its IUPAC name is 6-bromo-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-bromo-[1,3]oxazolo[5,4-b]pyridine
PubChem CID55252641
Molecular FormulaC6H3BrN2O
Molecular Weight199.01 g/mol
Exact Mass197.94
IUPAC Name6-bromo-[1,3]oxazolo[5,4-b]pyridine
SMILESBrc1cnc2ocnc2c1
InChIInChI=1S/C6H3BrN2O/c7-4-1-5-6(8-2-4)10-3-9-5/h1-3H
InChIKeyZFNFJJDYESCFHJ-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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Related Compounds

Oxazolo[5,4-b]pyridin-2-amine
CID 18671456
2-Chlorooxazolo[5,4-b]pyridine
CID 57370272
4-Bromo-(1,3)oxazolo(5,4-c)pyridine
CID 84668628
2-(2-Bromophenyl)[1,3]oxazolo[5,4-b]pyridine
CID 12461416
(1,3)Oxazolo(5,4-b)pyridine
CID 19831830
2-Methyloxazolo[5,4-b]pyridine
CID 13260645
5-Chloro-[1,3]oxazolo[5,4-b]pyridine
CID 72214753
6-Bromo-2-chloro-(1,3)oxazolo(5,4-b)pyridine
CID 84070730
2-Chloro-6-fluorooxazolo[5,4-b]pyridine
CID 129919818
2-(Methylthio)oxazolo[5,4-b]pyridine
CID 10419535
5-Methyloxazolopyridine
CID 58957242
6-bromo-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 57940981

Frequently Asked Questions

What is the IUPAC name of 6-bromo-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-bromo-[1,3]oxazolo[5,4-b]pyridine (CID 55252641) is 6-bromo-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-bromo-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-bromo-[1,3]oxazolo[5,4-b]pyridine is Brc1cnc2ocnc2c1.
What is the InChIKey of 6-bromo-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is ZFNFJJDYESCFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O/c7-4-1-5-6(8-2-4)10-3-9-5/h1-3H.
What are the key properties of 6-bromo-[1,3]oxazolo[5,4-b]pyridine?
6-bromo-[1,3]oxazolo[5,4-b]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 6-bromo-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 55252641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).