5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid

C9H9N2O6P — CID 19701238

IUPAC5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2cccc(C(O)P(=O)(O)O)n12
InChIInChI=1S/C9H9N2O6P/c12-8(13)6-4-10-7-3-1-2-5(11(6)7)9(14)18(15,16)17/h1-4,9,14H,(H,12,13)(H2,15,16,17)
InChIKeyJHLYODUQAGQWHN-UHFFFAOYSA-N
MW272.15 g/mol
LogP0.20
Rot. Bonds3

About 5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid

5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 19701238) has the molecular formula C9H9N2O6P and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID19701238
Molecular FormulaC9H9N2O6P
Molecular Weight272.15 g/mol
Exact Mass272.02
IUPAC Name5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2cccc(C(O)P(=O)(O)O)n12
InChIInChI=1S/C9H9N2O6P/c12-8(13)6-4-10-7-3-1-2-5(11(6)7)9(14)18(15,16)17/h1-4,9,14H,(H,12,13)(H2,15,16,17)
InChIKeyJHLYODUQAGQWHN-UHFFFAOYSA-N
XLogP0.20
TPSA132.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 19701238) is 5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1cnc2cccc(C(O)P(=O)(O)O)n12.
What is the InChIKey of 5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is JHLYODUQAGQWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2O6P/c12-8(13)6-4-10-7-3-1-2-5(11(6)7)9(14)18(15,16)17/h1-4,9,14H,(H,12,13)(H2,15,16,17).
What are the key properties of 5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 272.15 g/mol, XLogP of 0.20, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 19701238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).