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

C6H4BrN3O — CID 86775533

IUPAC5-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine
SMILESNc1nc2ccc(Br)nc2o1
InChIInChI=1S/C6H4BrN3O/c7-4-2-1-3-5(10-4)11-6(8)9-3/h1-2H,(H2,8,9)
InChIKeyAUFBZOBAJNXOGL-UHFFFAOYSA-N
MW214.02 g/mol
LogP1.57
Rot. Bonds

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

5-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine (PubChem CID 86775533) has the molecular formula C6H4BrN3O and a molecular weight of 214.02 g/mol. Its IUPAC name is 5-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine
PubChem CID86775533
Molecular FormulaC6H4BrN3O
Molecular Weight214.02 g/mol
Exact Mass212.95
IUPAC Name5-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine
SMILESNc1nc2ccc(Br)nc2o1
InChIInChI=1S/C6H4BrN3O/c7-4-2-1-3-5(10-4)11-6(8)9-3/h1-2H,(H2,8,9)
InChIKeyAUFBZOBAJNXOGL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Oxazolo[5,4-b]pyridin-2-amine
CID 18671456
6-Fluoro-[1,3]oxazolo[5,4-b]pyridin-2-amine
CID 129915196
2-Bromo-5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 130116192
N-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine
CID 20644822
5-Bromooxazolo[5,4-b]pyridine
CID 21964111
1-(6-Bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea
CID 44553521
5-Methoxy-[1,3]oxazolo[5,4-b]pyridin-2-amine
CID 59282819
6-Bromo-5-methyloxazolo[5,4-b]pyridin-2-amine
CID 59352806
1-(6-Bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea
CID 59352826
6-Bromooxazolo[5,4-b]pyridin-2-amine
CID 59352865
Oxazolo[5,4-b]pyridin-5-amine
CID 84648236
5-Methyloxazolo[5,4-b]pyridin-2-amine
CID 90014025

Frequently Asked Questions

What is the IUPAC name of 5-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine?
The IUPAC name of 5-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine (CID 86775533) is 5-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for 5-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for 5-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine is Nc1nc2ccc(Br)nc2o1.
What is the InChIKey of 5-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine?
The InChIKey is AUFBZOBAJNXOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O/c7-4-2-1-3-5(10-4)11-6(8)9-3/h1-2H,(H2,8,9).
What are the key properties of 5-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine?
5-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 5-bromo-[1,3]oxazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 86775533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).