hydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium

C9H10N2O7P2+2 — CID 159914387

IUPAChydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium
SMILESO=[P+](O)OC(O)(Cc1cnc2ccccn12)O[P+](=O)O
InChIInChI=1S/C9H8N2O7P2/c12-9(17-19(13)14,18-20(15)16)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2/p+2
InChIKeyVJEOJBCQZMOYTD-UHFFFAOYSA-P
MW320.13 g/mol
LogP0.86
Rot. Bonds6

About hydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium

hydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium (PubChem CID 159914387) has the molecular formula C9H10N2O7P2+2 and a molecular weight of 320.13 g/mol. Its IUPAC name is hydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium
PubChem CID159914387
Molecular FormulaC9H10N2O7P2+2
Molecular Weight320.13 g/mol
Exact Mass320.00
IUPAC Namehydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium
SMILESO=[P+](O)OC(O)(Cc1cnc2ccccn12)O[P+](=O)O
InChIInChI=1S/C9H8N2O7P2/c12-9(17-19(13)14,18-20(15)16)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2/p+2
InChIKeyVJEOJBCQZMOYTD-UHFFFAOYSA-P
XLogP0.86
TPSA130.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

imidazo[1,2-a]pyridin-3-ylmethanol;hydrochloride
CID 22938849
2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride
CID 67654872
ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one
CID 145017960
ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine
CID 145017956
imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide
CID 14602276
1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
CID 73012288
methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
CID 99837979
3-[(2-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117255900
2-imidazo[1,2-a]pyridin-3-yl-N-methylethanamine
CID 82598866
methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate
CID 86801501
1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone
CID 56870795
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 90571718

Frequently Asked Questions

What is the IUPAC name of hydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium?
The IUPAC name of hydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium (CID 159914387) is hydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium?
The canonical SMILES for hydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium is O=[P+](O)OC(O)(Cc1cnc2ccccn12)O[P+](=O)O.
What is the InChIKey of hydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium?
The InChIKey is VJEOJBCQZMOYTD-UHFFFAOYSA-P. The full InChI is InChI=1S/C9H8N2O7P2/c12-9(17-19(13)14,18-20(15)16)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2/p+2.
What are the key properties of hydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium?
hydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium has a molecular weight of 320.13 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-2-imidazo[1,2-a]pyridin-3-ylethoxy]-oxophosphanium is sourced from PubChem (CID 159914387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).