3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid

C10H10BrN2O6P — CID 171353201

IUPAC3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid
SMILESO=C(O)C(O)(Cc1cnc2ccc(Br)cn12)P(=O)(O)O
InChIInChI=1S/C10H10BrN2O6P/c11-6-1-2-8-12-4-7(13(8)5-6)3-10(16,9(14)15)20(17,18)19/h1-2,4-5,16H,3H2,(H,14,15)(H2,17,18,19)
InChIKeyVMBCJODNOIUWTN-UHFFFAOYSA-N
MW365.08 g/mol
LogP0.59
Rot. Bonds4

About 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid

3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid (PubChem CID 171353201) has the molecular formula C10H10BrN2O6P and a molecular weight of 365.08 g/mol. Its IUPAC name is 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid.

Molecular Properties

Compound Name3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid
PubChem CID171353201
Molecular FormulaC10H10BrN2O6P
Molecular Weight365.08 g/mol
Exact Mass363.95
IUPAC Name3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid
SMILESO=C(O)C(O)(Cc1cnc2ccc(Br)cn12)P(=O)(O)O
InChIInChI=1S/C10H10BrN2O6P/c11-6-1-2-8-12-4-7(13(8)5-6)3-10(16,9(14)15)20(17,18)19/h1-2,4-5,16H,3H2,(H,14,15)(H2,17,18,19)
InChIKeyVMBCJODNOIUWTN-UHFFFAOYSA-N
XLogP0.59
TPSA132.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.08
LogP ≤ 50.59
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 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid?
The IUPAC name of 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid (CID 171353201) is 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid.
What is the SMILES notation for 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid?
The canonical SMILES for 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid is O=C(O)C(O)(Cc1cnc2ccc(Br)cn12)P(=O)(O)O.
What is the InChIKey of 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid?
The InChIKey is VMBCJODNOIUWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN2O6P/c11-6-1-2-8-12-4-7(13(8)5-6)3-10(16,9(14)15)20(17,18)19/h1-2,4-5,16H,3H2,(H,14,15)(H2,17,18,19).
What are the key properties of 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid?
3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid has a molecular weight of 365.08 g/mol, XLogP of 0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-hydroxy-2-phosphonopropanoic acid is sourced from PubChem (CID 171353201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).