ethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate

C10H9N3O5 — CID 118051650

IUPACethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate
SMILESCCOC(=O)Oc1cn2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C10H9N3O5/c1-2-17-10(14)18-9-6-12-5-7(13(15)16)3-4-8(12)11-9/h3-6H,2H2,1H3
InChIKeyIKSHAJJVTIMXLT-UHFFFAOYSA-N
MW251.20 g/mol
LogP1.78
Rot. Bonds3

About ethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate

ethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate (PubChem CID 118051650) has the molecular formula C10H9N3O5 and a molecular weight of 251.20 g/mol. Its IUPAC name is ethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate.

Molecular Properties

Compound Nameethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate
PubChem CID118051650
Molecular FormulaC10H9N3O5
Molecular Weight251.20 g/mol
Exact Mass251.05
IUPAC Nameethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate
SMILESCCOC(=O)Oc1cn2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C10H9N3O5/c1-2-17-10(14)18-9-6-12-5-7(13(15)16)3-4-8(12)11-9/h3-6H,2H2,1H3
InChIKeyIKSHAJJVTIMXLT-UHFFFAOYSA-N
XLogP1.78
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl) 4-ethoxycarbonyloxybenzoate
CID 139788596
2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid
CID 82032789
2-ethoxyimidazo[1,2-a]pyridine-6-carboxamide
CID 155749147
ethyl 2-[6-(4-nitrophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
CID 154659110
ethyl 3-hydroxy-5-methyl-2-(4-nitrophenyl)imidazole-4-carboxylate
CID 45157067
(2-carboxyoxy-5-nitroindol-1-yl) ethyl carbonate
CID 57209643
ethyl (5-methyl-2-pyridinyl) carbonate
CID 70426723
ethyl 7-nitronaphthalene-2-carboxylate
CID 171990152
2-methyl-6-nitroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 12872601
2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine
CID 67122921
6-O-ethyl 2-O-[(4-nitrophenyl)methyl] pyrazine-2,6-dicarboxylate
CID 150445810
ethyl 1-(4-nitrophenyl)-1,2,4-triazole-3-carboxylate
CID 134096704

Frequently Asked Questions

What is the IUPAC name of ethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate?
The IUPAC name of ethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate (CID 118051650) is ethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate.
What is the SMILES notation for ethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate?
The canonical SMILES for ethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate is CCOC(=O)Oc1cn2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of ethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate?
The InChIKey is IKSHAJJVTIMXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5/c1-2-17-10(14)18-9-6-12-5-7(13(15)16)3-4-8(12)11-9/h3-6H,2H2,1H3.
What are the key properties of ethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate?
ethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate has a molecular weight of 251.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6-nitroimidazo[1,2-a]pyridin-2-yl) carbonate is sourced from PubChem (CID 118051650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).