8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid

C12H7BrN2O3 — CID 84744258

IUPAC8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(-c2ccco2)n2cccc(Br)c12
InChIInChI=1S/C12H7BrN2O3/c13-7-3-1-5-15-10(7)9(12(16)17)14-11(15)8-4-2-6-18-8/h1-6H,(H,16,17)
InChIKeyREDIFDJSFRHNFA-UHFFFAOYSA-N
MW307.10 g/mol
LogP3.06
Rot. Bonds2

About 8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid

8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 84744258) has the molecular formula C12H7BrN2O3 and a molecular weight of 307.10 g/mol. Its IUPAC name is 8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID84744258
Molecular FormulaC12H7BrN2O3
Molecular Weight307.10 g/mol
Exact Mass305.96
IUPAC Name8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(-c2ccco2)n2cccc(Br)c12
InChIInChI=1S/C12H7BrN2O3/c13-7-3-1-5-15-10(7)9(12(16)17)14-11(15)8-4-2-6-18-8/h1-6H,(H,16,17)
InChIKeyREDIFDJSFRHNFA-UHFFFAOYSA-N
XLogP3.06
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.10
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 84744258) is 8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(-c2ccco2)n2cccc(Br)c12.
What is the InChIKey of 8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is REDIFDJSFRHNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O3/c13-7-3-1-5-15-10(7)9(12(16)17)14-11(15)8-4-2-6-18-8/h1-6H,(H,16,17).
What are the key properties of 8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 307.10 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 84744258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).