6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine

C6H4BrN3O — CID 154577493

IUPAC6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESNc1noc2cc(Br)cnc12
InChIInChI=1S/C6H4BrN3O/c7-3-1-4-5(9-2-3)6(8)10-11-4/h1-2H,(H2,8,10)
InChIKeyDJULUCDSZJTOJN-UHFFFAOYSA-N
MW214.02 g/mol
LogP1.57
Rot. Bonds

About 6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine

6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 154577493) has the molecular formula C6H4BrN3O and a molecular weight of 214.02 g/mol. Its IUPAC name is 6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID154577493
Molecular FormulaC6H4BrN3O
Molecular Weight214.02 g/mol
Exact Mass212.95
IUPAC Name6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESNc1noc2cc(Br)cnc12
InChIInChI=1S/C6H4BrN3O/c7-3-1-4-5(9-2-3)6(8)10-11-4/h1-2H,(H2,8,10)
InChIKeyDJULUCDSZJTOJN-UHFFFAOYSA-N
XLogP1.57
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.02
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of 6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 154577493) is 6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for 6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for 6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine is Nc1noc2cc(Br)cnc12.
What is the InChIKey of 6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is DJULUCDSZJTOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O/c7-3-1-4-5(9-2-3)6(8)10-11-4/h1-2H,(H2,8,10).
What are the key properties of 6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine?
6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 214.02 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 154577493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).