2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine

C15H13N5O4 — CID 28912800

IUPAC2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
SMILESNCCc1nc2ccc([N+](=O)[O-])cn2c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N5O4/c16-8-7-13-15(10-1-3-11(4-2-10)19(21)22)18-9-12(20(23)24)5-6-14(18)17-13/h1-6,9H,7-8,16H2
InChIKeyUZHCSCULBFCNMB-UHFFFAOYSA-N
MW327.30 g/mol
LogP2.32
Rot. Bonds5

About 2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine

2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine (PubChem CID 28912800) has the molecular formula C15H13N5O4 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
PubChem CID28912800
Molecular FormulaC15H13N5O4
Molecular Weight327.30 g/mol
Exact Mass327.10
IUPAC Name2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
SMILESNCCc1nc2ccc([N+](=O)[O-])cn2c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N5O4/c16-8-7-13-15(10-1-3-11(4-2-10)19(21)22)18-9-12(20(23)24)5-6-14(18)17-13/h1-6,9H,7-8,16H2
InChIKeyUZHCSCULBFCNMB-UHFFFAOYSA-N
XLogP2.32
TPSA129.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 170878850
2-[4-bromo-1-(4-nitrophenyl)pyrazol-3-yl]ethanamine
CID 116818595
2-(6-chloro-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)ethanamine
CID 28912771
2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866512
8-nitropyrido[2,1-b]quinazolin-11-one
CID 71329099
[2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
CID 67123064
3-ethyl-2-methyl-7-nitropyrido[1,2-a]pyrimidin-4-one
CID 20568861
2-[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]ethanamine
CID 79153259
2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866412
6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 67546543
2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine
CID 67122921
2-methyl-6-nitroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 12872601

Frequently Asked Questions

What is the IUPAC name of 2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?
The IUPAC name of 2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine (CID 28912800) is 2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine.
What is the SMILES notation for 2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?
The canonical SMILES for 2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine is NCCc1nc2ccc([N+](=O)[O-])cn2c1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?
The InChIKey is UZHCSCULBFCNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4/c16-8-7-13-15(10-1-3-11(4-2-10)19(21)22)18-9-12(20(23)24)5-6-14(18)17-13/h1-6,9H,7-8,16H2.
What are the key properties of 2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?
2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine has a molecular weight of 327.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine is sourced from PubChem (CID 28912800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).