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

C10H10BrN2O5P — CID 56641471

IUPAC2-bromo-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid
SMILESO=C(O)C(Br)(Cc1cnc2ccccn12)P(=O)(O)O
InChIInChI=1S/C10H10BrN2O5P/c11-10(9(14)15,19(16,17)18)5-7-6-12-8-3-1-2-4-13(7)8/h1-4,6H,5H2,(H,14,15)(H2,16,17,18)
InChIKeyGTBITWXVDWEVJW-UHFFFAOYSA-N
MW349.08 g/mol
LogP1.23
Rot. Bonds4

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

2-bromo-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid (PubChem CID 56641471) has the molecular formula C10H10BrN2O5P and a molecular weight of 349.08 g/mol. Its IUPAC name is 2-bromo-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid.

Molecular Properties

Compound Name2-bromo-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid
PubChem CID56641471
Molecular FormulaC10H10BrN2O5P
Molecular Weight349.08 g/mol
Exact Mass347.95
IUPAC Name2-bromo-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid
SMILESO=C(O)C(Br)(Cc1cnc2ccccn12)P(=O)(O)O
InChIInChI=1S/C10H10BrN2O5P/c11-10(9(14)15,19(16,17)18)5-7-6-12-8-3-1-2-4-13(7)8/h1-4,6H,5H2,(H,14,15)(H2,16,17,18)
InChIKeyGTBITWXVDWEVJW-UHFFFAOYSA-N
XLogP1.23
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.08
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid?
The IUPAC name of 2-bromo-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid (CID 56641471) is 2-bromo-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid.
What is the SMILES notation for 2-bromo-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid?
The canonical SMILES for 2-bromo-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid is O=C(O)C(Br)(Cc1cnc2ccccn12)P(=O)(O)O.
What is the InChIKey of 2-bromo-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid?
The InChIKey is GTBITWXVDWEVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN2O5P/c11-10(9(14)15,19(16,17)18)5-7-6-12-8-3-1-2-4-13(7)8/h1-4,6H,5H2,(H,14,15)(H2,16,17,18).
What are the key properties of 2-bromo-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid?
2-bromo-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid has a molecular weight of 349.08 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid is sourced from PubChem (CID 56641471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).