3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid

C10H11N2O5P — CID 56641469

IUPAC3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid
SMILESO=C(O)C(Cc1cnc2ccccn12)P(=O)(O)O
InChIInChI=1S/C10H11N2O5P/c13-10(14)8(18(15,16)17)5-7-6-11-9-3-1-2-4-12(7)9/h1-4,6,8H,5H2,(H,13,14)(H2,15,16,17)
InChIKeyWEBOUWCAFRUISK-UHFFFAOYSA-N
MW270.18 g/mol
LogP0.51
Rot. Bonds4

About 3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid

3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid (PubChem CID 56641469) has the molecular formula C10H11N2O5P and a molecular weight of 270.18 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid
PubChem CID56641469
Molecular FormulaC10H11N2O5P
Molecular Weight270.18 g/mol
Exact Mass270.04
IUPAC Name3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid
SMILESO=C(O)C(Cc1cnc2ccccn12)P(=O)(O)O
InChIInChI=1S/C10H11N2O5P/c13-10(14)8(18(15,16)17)5-7-6-11-9-3-1-2-4-12(7)9/h1-4,6,8H,5H2,(H,13,14)(H2,15,16,17)
InChIKeyWEBOUWCAFRUISK-UHFFFAOYSA-N
XLogP0.51
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid?
The IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid (CID 56641469) is 3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid is O=C(O)C(Cc1cnc2ccccn12)P(=O)(O)O.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid?
The InChIKey is WEBOUWCAFRUISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2O5P/c13-10(14)8(18(15,16)17)5-7-6-11-9-3-1-2-4-12(7)9/h1-4,6,8H,5H2,(H,13,14)(H2,15,16,17).
What are the key properties of 3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid?
3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid has a molecular weight of 270.18 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid is sourced from PubChem (CID 56641469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).