5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid

C8H7N3O2 — CID 19609393

IUPAC5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESNc1cccc2ncc(C(=O)O)n12
InChIInChI=1S/C8H7N3O2/c9-6-2-1-3-7-10-4-5(8(12)13)11(6)7/h1-4H,9H2,(H,12,13)
InChIKeyNNCMICHXEKAPSO-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.61
Rot. Bonds1

About 5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid

5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 19609393) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID19609393
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESNc1cccc2ncc(C(=O)O)n12
InChIInChI=1S/C8H7N3O2/c9-6-2-1-3-7-10-4-5(8(12)13)11(6)7/h1-4H,9H2,(H,12,13)
InChIKeyNNCMICHXEKAPSO-UHFFFAOYSA-N
XLogP0.61
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazo[1,2-a]pyridine-2-carboxylic acid
CID 2062168
2-Chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2360195
Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
Methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 717824
Ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 821015
Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 860187
N-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 4876863
Imidazo(1,2-a)pyridine-3-carboxylic acid
CID 73142
2-Methylimidazo(1,2-a)pyridine-3-carboxylic acid
CID 89054
Imidazo[1,2-a]pyridine-3-acetic acid
CID 87284
1-{2-Methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one
CID 2735255
Ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 10567382

Frequently Asked Questions

What is the IUPAC name of 5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid (CID 19609393) is 5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid is Nc1cccc2ncc(C(=O)O)n12.
What is the InChIKey of 5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is NNCMICHXEKAPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-6-2-1-3-7-10-4-5(8(12)13)11(6)7/h1-4H,9H2,(H,12,13).
What are the key properties of 5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid?
5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 19609393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).