(hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid

C24H21ClN6O10P2 — CID 159382288

IUPAC(hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(Cl)c1ccc2nccn2c1.O=C(O)c1ccc2nccn2c1.O=P(O)(O)C(O)(c1ccc2nccn2c1)P(=O)(O)O
InChIInChI=1S/C8H5ClN2O.C8H10N2O7P2.C8H6N2O2/c9-8(12)6-1-2-7-10-3-4-11(7)5-6;11-8(18(12,13)14,19(15,16)17)6-1-2-7-9-3-4-10(7)5-6;11-8(12)6-1-2-7-9-3-4-10(7)5-6/h1-5H;1-5,11H,(H2,12,13,14)(H2,15,16,17);1-5H,(H,11,12)
InChIKeyLLBJENVOGGURBW-UHFFFAOYSA-N
MW650.87 g/mol
LogP2.54
Rot. Bonds5

About (hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid

(hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 159382288) has the molecular formula C24H21ClN6O10P2 and a molecular weight of 650.87 g/mol. Its IUPAC name is (hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID159382288
Molecular FormulaC24H21ClN6O10P2
Molecular Weight650.87 g/mol
Exact Mass650.05
IUPAC Name(hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(Cl)c1ccc2nccn2c1.O=C(O)c1ccc2nccn2c1.O=P(O)(O)C(O)(c1ccc2nccn2c1)P(=O)(O)O
InChIInChI=1S/C8H5ClN2O.C8H10N2O7P2.C8H6N2O2/c9-8(12)6-1-2-7-10-3-4-11(7)5-6;11-8(18(12,13)14,19(15,16)17)6-1-2-7-9-3-4-10(7)5-6;11-8(12)6-1-2-7-9-3-4-10(7)5-6/h1-5H;1-5,11H,(H2,12,13,14)(H2,15,16,17);1-5H,(H,11,12)
InChIKeyLLBJENVOGGURBW-UHFFFAOYSA-N
XLogP2.54
TPSA241.56 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500650.87
LogP ≤ 52.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of (hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid (CID 159382288) is (hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for (hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for (hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid is O=C(Cl)c1ccc2nccn2c1.O=C(O)c1ccc2nccn2c1.O=P(O)(O)C(O)(c1ccc2nccn2c1)P(=O)(O)O.
What is the InChIKey of (hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is LLBJENVOGGURBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O.C8H10N2O7P2.C8H6N2O2/c9-8(12)6-1-2-7-10-3-4-11(7)5-6;11-8(18(12,13)14,19(15,16)17)6-1-2-7-9-3-4-10(7)5-6;11-8(12)6-1-2-7-9-3-4-10(7)5-6/h1-5H;1-5,11H,(H2,12,13,14)(H2,15,16,17);1-5H,(H,11,12).
What are the key properties of (hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid?
(hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 650.87 g/mol, XLogP of 2.54, 5 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (hydroxy-imidazo[1,2-a]pyridin-6-yl-phosphonomethyl)phosphonic acid;imidazo[1,2-a]pyridine-6-carbonyl chloride;imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 159382288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).