ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate

C16H13N3O4 — CID 76849694

IUPACethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccn2ccnc2c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H13N3O4/c1-2-23-16(20)13-7-9-18-10-8-17-15(18)14(13)11-3-5-12(6-4-11)19(21)22/h3-10H,2H2,1H3
InChIKeyLQLNPHPICLBLMH-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.09
Rot. Bonds4

About ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate

ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 76849694) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID76849694
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Nameethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccn2ccnc2c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H13N3O4/c1-2-23-16(20)13-7-9-18-10-8-17-15(18)14(13)11-3-5-12(6-4-11)19(21)22/h3-10H,2H2,1H3
InChIKeyLQLNPHPICLBLMH-UHFFFAOYSA-N
XLogP3.09
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

diethyl 3-(4-nitrophenyl)-1H-pyrrole-2,4-dicarboxylate
CID 134695151
ethyl 1-[(4-nitrophenyl)methyl]imidazole-2-carboxylate
CID 172815172
ethyl 1-(4-nitrophenyl)-1,2,4-triazole-3-carboxylate
CID 134096704
ethyl 2-(2-amino-2-oxoethyl)-6-(4-nitrophenyl)-3-oxopyridazine-4-carboxylate
CID 100785584
diethyl 5-(4-nitrophenyl)furan-2,3-dicarboxylate
CID 164671795
ethyl 2,5-bis(4-nitrophenyl)furan-3-carboxylate
CID 44632724
ethyl 4-(4-nitrophenyl)-1,3-oxazole-5-carboxylate
CID 44542997
ethyl 5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxylate
CID 2741473
ethyl 3-hydroxy-5-methyl-2-(4-nitrophenyl)imidazole-4-carboxylate
CID 45157067
ethyl 3-(4-methylphenyl)-4-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
CID 102360140
ethyl 1-methyl-4-(4-nitrophenyl)pyrrole-2-carboxylate
CID 14643807
ethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 102491621

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate (CID 76849694) is ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate is CCOC(=O)c1ccn2ccnc2c1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is LQLNPHPICLBLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-2-23-16(20)13-7-9-18-10-8-17-15(18)14(13)11-3-5-12(6-4-11)19(21)22/h3-10H,2H2,1H3.
What are the key properties of ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate?
ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 311.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 76849694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).