4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide

C8H8N3O2+ — CID 67163345

IUPAC4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide
SMILESNC(=O)C1=CC2=NC=C[N+]2(O)C=C1
InChIInChI=1S/C8H7N3O2/c9-8(12)6-1-3-11(13)4-2-10-7(11)5-6/h1-5,13H,(H-,9,12)/p+1
InChIKeyYSWXQLCPQXSJSB-UHFFFAOYSA-O
MW178.17 g/mol
LogP0.01
Rot. Bonds1

About 4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide

4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide (PubChem CID 67163345) has the molecular formula C8H8N3O2+ and a molecular weight of 178.17 g/mol. Its IUPAC name is 4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide.

Molecular Properties

Compound Name4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide
PubChem CID67163345
Molecular FormulaC8H8N3O2+
Molecular Weight178.17 g/mol
Exact Mass178.06
IUPAC Name4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide
SMILESNC(=O)C1=CC2=NC=C[N+]2(O)C=C1
InChIInChI=1S/C8H7N3O2/c9-8(12)6-1-3-11(13)4-2-10-7(11)5-6/h1-5,13H,(H-,9,12)/p+1
InChIKeyYSWXQLCPQXSJSB-UHFFFAOYSA-O
XLogP0.01
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide?
The IUPAC name of 4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide (CID 67163345) is 4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide.
What is the SMILES notation for 4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide?
The canonical SMILES for 4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide is NC(=O)C1=CC2=NC=C[N+]2(O)C=C1.
What is the InChIKey of 4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide?
The InChIKey is YSWXQLCPQXSJSB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H7N3O2/c9-8(12)6-1-3-11(13)4-2-10-7(11)5-6/h1-5,13H,(H-,9,12)/p+1.
What are the key properties of 4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide?
4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide has a molecular weight of 178.17 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide is sourced from PubChem (CID 67163345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).