8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine

C15H13N3O3 — CID 722261

IUPAC8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
SMILESCc1cccn2cc(COc3cccc([N+](=O)[O-])c3)nc12
InChIInChI=1S/C15H13N3O3/c1-11-4-3-7-17-9-12(16-15(11)17)10-21-14-6-2-5-13(8-14)18(19)20/h2-9H,10H2,1H3
InChIKeyCPOAKCPFMSPSNA-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.13
Rot. Bonds4

About 8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine

8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine (PubChem CID 722261) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
PubChem CID722261
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
SMILESCc1cccn2cc(COc3cccc([N+](=O)[O-])c3)nc12
InChIInChI=1S/C15H13N3O3/c1-11-4-3-7-17-9-12(16-15(11)17)10-21-14-6-2-5-13(8-14)18(19)20/h2-9H,10H2,1H3
InChIKeyCPOAKCPFMSPSNA-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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
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
Dndi-0690
CID 137634027
2-(4-Methoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 828003
2-(3-Fluoro-4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine
CID 832352
2-(3,4-Dimethoxyphenyl)-6-nitroimidazo[1,2-a]pyridine
CID 3300645
2-[(3-Nitrophenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 4430260
2-(4-Ethoxy-3-nitrophenyl)imidazo[1,2-a]pyridine
CID 720524
2-(3-Nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 3098373
2-(3-Fluoro-4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridine
CID 784088

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine (CID 722261) is 8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine is Cc1cccn2cc(COc3cccc([N+](=O)[O-])c3)nc12.
What is the InChIKey of 8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine?
The InChIKey is CPOAKCPFMSPSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-11-4-3-7-17-9-12(16-15(11)17)10-21-14-6-2-5-13(8-14)18(19)20/h2-9H,10H2,1H3.
What are the key properties of 8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine?
8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine has a molecular weight of 283.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(3-nitrophenoxy)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 722261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).