6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine

C15H10N6O2 — CID 90332158

IUPAC6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc2nc(-c3ccc(-n4ccnn4)cc3)cn2c1
InChIInChI=1S/C15H10N6O2/c22-21(23)13-5-6-15-17-14(10-19(15)9-13)11-1-3-12(4-2-11)20-8-7-16-18-20/h1-10H
InChIKeyGRXYRVHZIKJENM-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.49
Rot. Bonds3

About 6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine

6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 90332158) has the molecular formula C15H10N6O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine
PubChem CID90332158
Molecular FormulaC15H10N6O2
Molecular Weight306.29 g/mol
Exact Mass306.09
IUPAC Name6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc2nc(-c3ccc(-n4ccnn4)cc3)cn2c1
InChIInChI=1S/C15H10N6O2/c22-21(23)13-5-6-15-17-14(10-19(15)9-13)11-1-3-12(4-2-11)20-8-7-16-18-20/h1-10H
InChIKeyGRXYRVHZIKJENM-UHFFFAOYSA-N
XLogP2.49
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
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'}

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Related Compounds

2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine
CID 67122921
7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 45158643
2-cyclopropyl-6-nitroimidazo[1,2-a]pyridine
CID 23120518
2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234062
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide
CID 121055658
2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234074
1-(4-bromophenyl)triazole
CID 13106108
6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 2806480
2-[4-(4-methylphenyl)triazol-1-yl]-5-nitropyridine
CID 57341267
2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 45158613
2-(4-methylphenyl)-6-nitroindazole
CID 620060
4-(6-aminoimidazo[1,2-a]pyridin-2-yl)phenol
CID 821070

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine (CID 90332158) is 6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine is O=[N+]([O-])c1ccc2nc(-c3ccc(-n4ccnn4)cc3)cn2c1.
What is the InChIKey of 6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is GRXYRVHZIKJENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O2/c22-21(23)13-5-6-15-17-14(10-19(15)9-13)11-1-3-12(4-2-11)20-8-7-16-18-20/h1-10H.
What are the key properties of 6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine?
6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 306.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 90332158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).