6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid

C11H6BrN3O3 — CID 88923973

IUPAC6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid
SMILESO=C(O)n1c(-c2cnco2)cc2cnc(Br)cc21
InChIInChI=1S/C11H6BrN3O3/c12-10-2-7-6(3-14-10)1-8(15(7)11(16)17)9-4-13-5-18-9/h1-5H,(H,16,17)
InChIKeyMXLXVTLJFCBKDO-UHFFFAOYSA-N
MW308.09 g/mol
LogP2.98
Rot. Bonds1

About 6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid

6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid (PubChem CID 88923973) has the molecular formula C11H6BrN3O3 and a molecular weight of 308.09 g/mol. Its IUPAC name is 6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid
PubChem CID88923973
Molecular FormulaC11H6BrN3O3
Molecular Weight308.09 g/mol
Exact Mass306.96
IUPAC Name6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid
SMILESO=C(O)n1c(-c2cnco2)cc2cnc(Br)cc21
InChIInChI=1S/C11H6BrN3O3/c12-10-2-7-6(3-14-10)1-8(15(7)11(16)17)9-4-13-5-18-9/h1-5H,(H,16,17)
InChIKeyMXLXVTLJFCBKDO-UHFFFAOYSA-N
XLogP2.98
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid?
The IUPAC name of 6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid (CID 88923973) is 6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid?
The canonical SMILES for 6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid is O=C(O)n1c(-c2cnco2)cc2cnc(Br)cc21.
What is the InChIKey of 6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid?
The InChIKey is MXLXVTLJFCBKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O3/c12-10-2-7-6(3-14-10)1-8(15(7)11(16)17)9-4-13-5-18-9/h1-5H,(H,16,17).
What are the key properties of 6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid?
6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid has a molecular weight of 308.09 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylic acid is sourced from PubChem (CID 88923973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).