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

C6H4BrN3O — CID 59352865

IUPAC6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2o1
InChIInChI=1S/C6H4BrN3O/c7-3-1-4-5(9-2-3)11-6(8)10-4/h1-2H,(H2,8,10)
InChIKeyYSTTTYIGADERHD-UHFFFAOYSA-N
MW214.02 g/mol
LogP1.57
Rot. Bonds

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

6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine (PubChem CID 59352865) has the molecular formula C6H4BrN3O and a molecular weight of 214.02 g/mol. Its IUPAC name is 6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine
PubChem CID59352865
Molecular FormulaC6H4BrN3O
Molecular Weight214.02 g/mol
Exact Mass212.95
IUPAC Name6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2o1
InChIInChI=1S/C6H4BrN3O/c7-3-1-4-5(9-2-3)11-6(8)10-4/h1-2H,(H2,8,10)
InChIKeyYSTTTYIGADERHD-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-[1,3]oxazolo[5,4-b]pyridin-2-amine?
The IUPAC name of 6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine (CID 59352865) is 6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine is Nc1nc2cc(Br)cnc2o1.
What is the InChIKey of 6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine?
The InChIKey is YSTTTYIGADERHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O/c7-3-1-4-5(9-2-3)11-6(8)10-4/h1-2H,(H2,8,10).
What are the key properties of 6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine?
6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-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-[1,3]oxazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 59352865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).