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

C6H3BrN2O — CID 84668628

IUPAC4-bromo-[1,3]oxazolo[5,4-c]pyridine
SMILESBrc1nccc2ncoc12
InChIInChI=1S/C6H3BrN2O/c7-6-5-4(1-2-8-6)9-3-10-5/h1-3H
InChIKeyRSGXZRXAZSNKFT-UHFFFAOYSA-N
MW199.01 g/mol
LogP1.99
Rot. Bonds

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

4-bromo-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 84668628) has the molecular formula C6H3BrN2O and a molecular weight of 199.01 g/mol. Its IUPAC name is 4-bromo-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name4-bromo-[1,3]oxazolo[5,4-c]pyridine
PubChem CID84668628
Molecular FormulaC6H3BrN2O
Molecular Weight199.01 g/mol
Exact Mass197.94
IUPAC Name4-bromo-[1,3]oxazolo[5,4-c]pyridine
SMILESBrc1nccc2ncoc12
InChIInChI=1S/C6H3BrN2O/c7-6-5-4(1-2-8-6)9-3-10-5/h1-3H
InChIKeyRSGXZRXAZSNKFT-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 4-bromo-[1,3]oxazolo[5,4-c]pyridine (CID 84668628) is 4-bromo-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 4-bromo-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 4-bromo-[1,3]oxazolo[5,4-c]pyridine is Brc1nccc2ncoc12.
What is the InChIKey of 4-bromo-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is RSGXZRXAZSNKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O/c7-6-5-4(1-2-8-6)9-3-10-5/h1-3H.
What are the key properties of 4-bromo-[1,3]oxazolo[5,4-c]pyridine?
4-bromo-[1,3]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 4-bromo-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 84668628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).