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

C11H11BrN2O3 — CID 117254555

IUPAC8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(O)Cc1nc(C(=O)O)c2c(Br)cccn12
InChIInChI=1S/C11H11BrN2O3/c1-6(15)5-8-13-9(11(16)17)10-7(12)3-2-4-14(8)10/h2-4,6,15H,5H2,1H3,(H,16,17)
InChIKeyWOAXKOCYOUSKBR-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.72
Rot. Bonds3

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

8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117254555) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117254555
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(O)Cc1nc(C(=O)O)c2c(Br)cccn12
InChIInChI=1S/C11H11BrN2O3/c1-6(15)5-8-13-9(11(16)17)10-7(12)3-2-4-14(8)10/h2-4,6,15H,5H2,1H3,(H,16,17)
InChIKeyWOAXKOCYOUSKBR-UHFFFAOYSA-N
XLogP1.72
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254530
8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254990
3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254561
8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744413
3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743573
8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84745293
3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254893
3-(2-aminopropyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254982
8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254986
1-(1-bromo-8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-ol
CID 117254526
8-hydroxy-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255582
8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744258

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117254555) is 8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid is CC(O)Cc1nc(C(=O)O)c2c(Br)cccn12.
What is the InChIKey of 8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is WOAXKOCYOUSKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-6(15)5-8-13-9(11(16)17)10-7(12)3-2-4-14(8)10/h2-4,6,15H,5H2,1H3,(H,16,17).
What are the key properties of 8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 299.12 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117254555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).