2-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine

C16H15N3O3 — CID 1204461

IUPAC2-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine
SMILESCCOc1ccc(-c2cn3cccc(C)c3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O3/c1-3-22-15-7-6-12(9-14(15)19(20)21)13-10-18-8-4-5-11(2)16(18)17-13/h4-10H,3H2,1-2H3
InChIKeyVMIALYTZCBDAJU-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.62
Rot. Bonds4

About 2-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine

2-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine (PubChem CID 1204461) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine
PubChem CID1204461
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine
SMILESCCOc1ccc(-c2cn3cccc(C)c3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O3/c1-3-22-15-7-6-12(9-14(15)19(20)21)13-10-18-8-4-5-11(2)16(18)17-13/h4-10H,3H2,1-2H3
InChIKeyVMIALYTZCBDAJU-UHFFFAOYSA-N
XLogP3.62
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.62
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

2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 3098373
2-[6-(4-ethoxy-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3652230
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide
CID 122323583
4-ethoxy-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 23608343
2-[4-[(4-isocyanophenyl)methoxy]-3-methylphenyl]-8-methylimidazo[1,2-a]pyridine
CID 58191856
[3-(4-ethoxy-3-nitrophenyl)-1-methylpyrazol-5-yl]methanamine
CID 84761551
1-(benzenesulfonyl)-2-(4-ethoxy-3-nitrophenyl)imidazole
CID 110534191
4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122323379
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide
CID 121028685
1-[4-(4-ethoxy-3-nitrophenyl)-1,3-thiazol-2-yl]ethanamine
CID 4558716
2-(4-bromophenyl)-8-methylimidazo[1,2-a]pyridine;hydrobromide
CID 67123054
4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 84567435

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine (CID 1204461) is 2-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine is CCOc1ccc(-c2cn3cccc(C)c3n2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine?
The InChIKey is VMIALYTZCBDAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-3-22-15-7-6-12(9-14(15)19(20)21)13-10-18-8-4-5-11(2)16(18)17-13/h4-10H,3H2,1-2H3.
What are the key properties of 2-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine?
2-(4-ethoxy-3-nitrophenyl)-8-methylimidazo[1,2-a]pyridine has a molecular weight of 297.31 g/mol, XLogP of 3.62, 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)-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 1204461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).