6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde

C7H3BrN2O2 — CID 82391448

IUPAC6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde
SMILESO=Cc1noc2nc(Br)ccc12
InChIInChI=1S/C7H3BrN2O2/c8-6-2-1-4-5(3-11)10-12-7(4)9-6/h1-3H
InChIKeyLWZWZHPWZVQURT-UHFFFAOYSA-N
MW227.02 g/mol
LogP1.80
Rot. Bonds1

About 6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde

6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde (PubChem CID 82391448) has the molecular formula C7H3BrN2O2 and a molecular weight of 227.02 g/mol. Its IUPAC name is 6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde
PubChem CID82391448
Molecular FormulaC7H3BrN2O2
Molecular Weight227.02 g/mol
Exact Mass225.94
IUPAC Name6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde
SMILESO=Cc1noc2nc(Br)ccc12
InChIInChI=1S/C7H3BrN2O2/c8-6-2-1-4-5(3-11)10-12-7(4)9-6/h1-3H
InChIKeyLWZWZHPWZVQURT-UHFFFAOYSA-N
XLogP1.80
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.02
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-1,2-benzoxazole-3-carbaldehyde
CID 89169705
4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde
CID 83913589
3-bromo-1,2,4-oxadiazole-5-carbaldehyde
CID 84655807
6-bromopyridazine-3-carbaldehyde
CID 138989855
6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde
CID 87354925
6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 118262322
3-bromo-6-chloropyridine-2-carbaldehyde
CID 71721004
6-bromo-1-methylindazole-3-carbaldehyde
CID 83912445
3-(2-bromophenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773373
2-methyl-1,6-naphthyridine-5-carbaldehyde
CID 166034995
6-bromothieno[2,3-b]pyridine-2-carbaldehyde
CID 82387205
6-bromo-4-oxopyrano[3,2-b]pyridine-3-carbaldehyde
CID 130290295

Frequently Asked Questions

What is the IUPAC name of 6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde?
The IUPAC name of 6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde (CID 82391448) is 6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde?
The canonical SMILES for 6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde is O=Cc1noc2nc(Br)ccc12.
What is the InChIKey of 6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde?
The InChIKey is LWZWZHPWZVQURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrN2O2/c8-6-2-1-4-5(3-11)10-12-7(4)9-6/h1-3H.
What are the key properties of 6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde?
6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde has a molecular weight of 227.02 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 82391448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).