3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid

C10H11N3O3 — CID 137005753

IUPAC3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNCCc1nc(C(=O)O)c2cccc(O)n12
InChIInChI=1S/C10H11N3O3/c11-5-4-7-12-9(10(15)16)6-2-1-3-8(14)13(6)7/h1-3,14H,4-5,11H2,(H,15,16)
InChIKeyBLYXFZLQOIIYCG-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.24
Rot. Bonds3

About 3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid

3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 137005753) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID137005753
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNCCc1nc(C(=O)O)c2cccc(O)n12
InChIInChI=1S/C10H11N3O3/c11-5-4-7-12-9(10(15)16)6-2-1-3-8(14)13(6)7/h1-3,14H,4-5,11H2,(H,15,16)
InChIKeyBLYXFZLQOIIYCG-UHFFFAOYSA-N
XLogP0.24
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005719
3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol
CID 117253162
3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743102
3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 137005772
5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252747
5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250597
5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253231
2-(2-aminoethyl)-1-methylbenzimidazole-4-carboxylic acid
CID 84786616
3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743573
5-hydroxy-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005550
3-[(3-hydroxyphenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255250
5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255208

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid (CID 137005753) is 3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid is NCCc1nc(C(=O)O)c2cccc(O)n12.
What is the InChIKey of 3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is BLYXFZLQOIIYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c11-5-4-7-12-9(10(15)16)6-2-1-3-8(14)13(6)7/h1-3,14H,4-5,11H2,(H,15,16).
What are the key properties of 3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 137005753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).