8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde

C15H11N3O3 — CID 83966609

IUPAC8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESCc1cc(C=O)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12
InChIInChI=1S/C15H11N3O3/c1-10-5-11(9-19)7-17-8-14(16-15(10)17)12-3-2-4-13(6-12)18(20)21/h2-9H,1H3
InChIKeyZFSROVZWVNUSFT-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.03
Rot. Bonds3

About 8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde

8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde (PubChem CID 83966609) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde
PubChem CID83966609
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESCc1cc(C=O)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12
InChIInChI=1S/C15H11N3O3/c1-10-5-11(9-19)7-17-8-14(16-15(10)17)12-3-2-4-13(6-12)18(20)21/h2-9H,1H3
InChIKeyZFSROVZWVNUSFT-UHFFFAOYSA-N
XLogP3.03
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 83966608
2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 45158631
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole
CID 5028639
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide
CID 121028685
1,4-dimethyl-2-(3-nitrophenyl)imidazole
CID 174565698
6-methyl-2-(3-nitrophenyl)pyrimidine-4-carbaldehyde
CID 62742267
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine
CID 830448
4-(3-nitrophenyl)-1-[(3-nitrophenyl)methylideneamino]imidazol-2-amine
CID 23768461
CID 175409039
CID 175409039
1-methyl-2-(3-nitrophenyl)imidazol-4-ol
CID 106952341
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde?
The IUPAC name of 8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde (CID 83966609) is 8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde?
The canonical SMILES for 8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde is Cc1cc(C=O)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12.
What is the InChIKey of 8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde?
The InChIKey is ZFSROVZWVNUSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-10-5-11(9-19)7-17-8-14(16-15(10)17)12-3-2-4-13(6-12)18(20)21/h2-9H,1H3.
What are the key properties of 8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde?
8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde has a molecular weight of 281.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 83966609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).