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

C7H5BrN2O — CID 82394304

IUPAC5-bromo-3-methyl-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1noc2ccc(Br)nc12
InChIInChI=1S/C7H5BrN2O/c1-4-7-5(11-10-4)2-3-6(8)9-7/h2-3H,1H3
InChIKeyDYGVEVVKXMLNPT-UHFFFAOYSA-N
MW213.03 g/mol
LogP2.29
Rot. Bonds

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

5-bromo-3-methyl-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 82394304) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 5-bromo-3-methyl-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-methyl-[1,2]oxazolo[4,5-b]pyridine
PubChem CID82394304
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name5-bromo-3-methyl-[1,2]oxazolo[4,5-b]pyridine
SMILESCc1noc2ccc(Br)nc12
InChIInChI=1S/C7H5BrN2O/c1-4-7-5(11-10-4)2-3-6(8)9-7/h2-3H,1H3
InChIKeyDYGVEVVKXMLNPT-UHFFFAOYSA-N
XLogP2.29
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 52.29
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 5-bromo-3-methyl-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 5-bromo-3-methyl-[1,2]oxazolo[4,5-b]pyridine (CID 82394304) is 5-bromo-3-methyl-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 5-bromo-3-methyl-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 5-bromo-3-methyl-[1,2]oxazolo[4,5-b]pyridine is Cc1noc2ccc(Br)nc12.
What is the InChIKey of 5-bromo-3-methyl-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is DYGVEVVKXMLNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c1-4-7-5(11-10-4)2-3-6(8)9-7/h2-3H,1H3.
What are the key properties of 5-bromo-3-methyl-[1,2]oxazolo[4,5-b]pyridine?
5-bromo-3-methyl-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 213.03 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 82394304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).