2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol

C23H19N5O7 — CID 19234056

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.c1ccn2cc(-c3ccc4c(c3)CCCC4)nc2c1
InChIInChI=1S/C17H16N2.C6H3N3O7/c1-2-6-14-11-15(9-8-13(14)5-1)16-12-19-10-4-3-7-17(19)18-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4,7-12H,1-2,5-6H2;1-2,10H
InChIKeyZUCYIMBDCJKQGM-UHFFFAOYSA-N
MW477.43 g/mol
LogP5.00
Rot. Bonds4

About 2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol

2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol (PubChem CID 19234056) has the molecular formula C23H19N5O7 and a molecular weight of 477.43 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol
PubChem CID19234056
Molecular FormulaC23H19N5O7
Molecular Weight477.43 g/mol
Exact Mass477.13
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.c1ccn2cc(-c3ccc4c(c3)CCCC4)nc2c1
InChIInChI=1S/C17H16N2.C6H3N3O7/c1-2-6-14-11-15(9-8-13(14)5-1)16-12-19-10-4-3-7-17(19)18-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4,7-12H,1-2,5-6H2;1-2,10H
InChIKeyZUCYIMBDCJKQGM-UHFFFAOYSA-N
XLogP5.00
TPSA166.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-(2-methoxyphenyl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234050
2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234062
2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234074
[2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 82059877
2-(3-nitro-4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 3098373
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide
CID 121055658
2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234073
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-nitrophenyl)methanimine
CID 830448
5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;hydroiodide
CID 19214757
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 735320
10-oxido-1,2,3,4,5,6,7,8-octahydroacridin-10-ium;2,4,6-trinitrophenol
CID 165360384
CID 87277719
CID 87277719

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol (CID 19234056) is 2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol is O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.c1ccn2cc(-c3ccc4c(c3)CCCC4)nc2c1.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
The InChIKey is ZUCYIMBDCJKQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2.C6H3N3O7/c1-2-6-14-11-15(9-8-13(14)5-1)16-12-19-10-4-3-7-17(19)18-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4,7-12H,1-2,5-6H2;1-2,10H.
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol?
2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol has a molecular weight of 477.43 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridine;2,4,6-trinitrophenol is sourced from PubChem (CID 19234056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).