2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine

C15H13N3O3 — CID 720524

IUPAC2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine
SMILESCCOc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O3/c1-2-21-14-7-6-11(9-13(14)18(19)20)12-10-17-8-4-3-5-15(17)16-12/h3-10H,2H2,1H3
InChIKeyBLEYVVGMXJJTRI-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.31
Rot. Bonds4

About 2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine

2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine (PubChem CID 720524) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine
PubChem CID720524
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine
SMILESCCOc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O3/c1-2-21-14-7-6-11(9-13(14)18(19)20)12-10-17-8-4-3-5-15(17)16-12/h3-10H,2H2,1H3
InChIKeyBLEYVVGMXJJTRI-UHFFFAOYSA-N
XLogP3.31
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Sch 28080
CID 108137
Tba-354
CID 49836057
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]phenyl)imidazo[1,2-a]pyridine
CID 10479214
2-[4-[3-(Azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine
CID 22390950
3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179257
6-(4-Propan-2-yloxyphenyl)-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179269
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
3-(4-Cyclopropyloxyphenyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179286

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine (CID 720524) is 2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine is CCOc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine?
The InChIKey is BLEYVVGMXJJTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-21-14-7-6-11(9-13(14)18(19)20)12-10-17-8-4-3-5-15(17)16-12/h3-10H,2H2,1H3.
What are the key properties of 2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine?
2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine has a molecular weight of 283.29 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 720524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).