1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid

C8H9BrN2O2 — CID 83867601

IUPAC1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1nc(Br)c2n1CCCC2
InChIInChI=1S/C8H9BrN2O2/c9-6-5-3-1-2-4-11(5)7(10-6)8(12)13/h1-4H2,(H,12,13)
InChIKeyGUWDASFJHMNMMP-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.68
Rot. Bonds1

About 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid

1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 83867601) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
PubChem CID83867601
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1nc(Br)c2n1CCCC2
InChIInChI=1S/C8H9BrN2O2/c9-6-5-3-1-2-4-11(5)7(10-6)8(12)13/h1-4H2,(H,12,13)
InChIKeyGUWDASFJHMNMMP-UHFFFAOYSA-N
XLogP1.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid (CID 83867601) is 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid is O=C(O)c1nc(Br)c2n1CCCC2.
What is the InChIKey of 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is GUWDASFJHMNMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c9-6-5-3-1-2-4-11(5)7(10-6)8(12)13/h1-4H2,(H,12,13).
What are the key properties of 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid?
1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 245.08 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 83867601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).