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

C14H9N3O3 — CID 2760202

IUPAC2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12
InChIInChI=1S/C14H9N3O3/c18-9-12-14(15-13-6-1-2-7-16(12)13)10-4-3-5-11(8-10)17(19)20/h1-9H
InChIKeyCTUDRDWJMOPTQF-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.72
Rot. Bonds3

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

2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 2760202) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID2760202
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12
InChIInChI=1S/C14H9N3O3/c18-9-12-14(15-13-6-1-2-7-16(12)13)10-4-3-5-11(8-10)17(19)20/h1-9H
InChIKeyCTUDRDWJMOPTQF-UHFFFAOYSA-N
XLogP2.72
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.72
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

(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 92908083
3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 122403866
3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029732
4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 58278225
2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine
CID 57338731
1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 1124710
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 1096448
2,3-dimethyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 50878467
1-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 3867858
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
1-[[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate
CID 7023786
3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 115403762

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 2760202) is 2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12.
What is the InChIKey of 2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is CTUDRDWJMOPTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-9-12-14(15-13-6-1-2-7-16(12)13)10-4-3-5-11(8-10)17(19)20/h1-9H.
What are the key properties of 2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 267.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 2760202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).