2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid

C8H7N2O5P — CID 19701527

IUPAC2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(P(=O)(O)O)cn2c1
InChIInChI=1S/C8H7N2O5P/c11-8(12)5-1-2-6-9-7(16(13,14)15)4-10(6)3-5/h1-4H,(H,11,12)(H2,13,14,15)
InChIKeyNPYINEOXEDSCLS-UHFFFAOYSA-N
MW242.13 g/mol
LogP-0.16
Rot. Bonds2

About 2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid

2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 19701527) has the molecular formula C8H7N2O5P and a molecular weight of 242.13 g/mol. Its IUPAC name is 2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID19701527
Molecular FormulaC8H7N2O5P
Molecular Weight242.13 g/mol
Exact Mass242.01
IUPAC Name2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(P(=O)(O)O)cn2c1
InChIInChI=1S/C8H7N2O5P/c11-8(12)5-1-2-6-9-7(16(13,14)15)4-10(6)3-5/h1-4H,(H,11,12)(H2,13,14,15)
InChIKeyNPYINEOXEDSCLS-UHFFFAOYSA-N
XLogP-0.16
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
2-hydroxy-4-(2-phosphonoimidazo[1,2-a]pyridin-6-yl)butanoic acid
CID 19701399
2-cyclopropylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 63906537
2-thiophen-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 54973406
2-(2-aminoethyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82372253
5-chloro-2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid
CID 19701293
2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117129579
2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117129022
2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117130963
2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 63992104
2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117130528
4-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)benzoic acid
CID 82063352

Frequently Asked Questions

What is the IUPAC name of 2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid (CID 19701527) is 2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nc(P(=O)(O)O)cn2c1.
What is the InChIKey of 2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is NPYINEOXEDSCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2O5P/c11-8(12)5-1-2-6-9-7(16(13,14)15)4-10(6)3-5/h1-4H,(H,11,12)(H2,13,14,15).
What are the key properties of 2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid?
2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 242.13 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 19701527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).