4-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide

C9H10N3O2+ — CID 67164171

IUPAC4-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide
SMILESCC1=CC2=NC=C[N+]2(O)C=C1C(N)=O
InChIInChI=1S/C9H9N3O2/c1-6-4-8-11-2-3-12(8,14)5-7(6)9(10)13/h2-5,14H,1H3,(H-,10,13)/p+1
InChIKeyOBLQUEIXSGJXLN-UHFFFAOYSA-O
MW192.20 g/mol
LogP0.40
Rot. Bonds1

About 4-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide

4-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide (PubChem CID 67164171) has the molecular formula C9H10N3O2+ and a molecular weight of 192.20 g/mol. Its IUPAC name is 4-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide.

Molecular Properties

Compound Name4-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide
PubChem CID67164171
Molecular FormulaC9H10N3O2+
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name4-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide
SMILESCC1=CC2=NC=C[N+]2(O)C=C1C(N)=O
InChIInChI=1S/C9H9N3O2/c1-6-4-8-11-2-3-12(8,14)5-7(6)9(10)13/h2-5,14H,1H3,(H-,10,13)/p+1
InChIKeyOBLQUEIXSGJXLN-UHFFFAOYSA-O
XLogP0.40
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 50.40
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-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide?
The IUPAC name of 4-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide (CID 67164171) is 4-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide.
What is the SMILES notation for 4-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide?
The canonical SMILES for 4-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide is CC1=CC2=NC=C[N+]2(O)C=C1C(N)=O.
What is the InChIKey of 4-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide?
The InChIKey is OBLQUEIXSGJXLN-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9N3O2/c1-6-4-8-11-2-3-12(8,14)5-7(6)9(10)13/h2-5,14H,1H3,(H-,10,13)/p+1.
What are the key properties of 4-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide?
4-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide has a molecular weight of 192.20 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-methylimidazo[1,2-a]pyridin-4-ium-6-carboxamide is sourced from PubChem (CID 67164171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).