5-nitro-2-(4-phenyltriazol-1-yl)pyridine

C13H9N5O2 — CID 57341266

IUPAC5-nitro-2-(4-phenyltriazol-1-yl)pyridine
SMILESO=[N+]([O-])c1ccc(-n2cc(-c3ccccc3)nn2)nc1
InChIInChI=1S/C13H9N5O2/c19-18(20)11-6-7-13(14-8-11)17-9-12(15-16-17)10-4-2-1-3-5-10/h1-9H
InChIKeyWIGRFQYVNPAGAN-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.24
Rot. Bonds3

About 5-nitro-2-(4-phenyltriazol-1-yl)pyridine

5-nitro-2-(4-phenyltriazol-1-yl)pyridine (PubChem CID 57341266) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 5-nitro-2-(4-phenyltriazol-1-yl)pyridine.

Molecular Properties

Compound Name5-nitro-2-(4-phenyltriazol-1-yl)pyridine
PubChem CID57341266
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name5-nitro-2-(4-phenyltriazol-1-yl)pyridine
SMILESO=[N+]([O-])c1ccc(-n2cc(-c3ccccc3)nn2)nc1
InChIInChI=1S/C13H9N5O2/c19-18(20)11-6-7-13(14-8-11)17-9-12(15-16-17)10-4-2-1-3-5-10/h1-9H
InChIKeyWIGRFQYVNPAGAN-UHFFFAOYSA-N
XLogP2.24
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-nitro-2-(4-phenyltriazol-1-yl)pyridine 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

2-[4-(4-methylphenyl)triazol-1-yl]-5-nitropyridine
CID 57341267
2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine
CID 12602752
5-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 12602756
5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine
CID 12661221
1-(5-nitro-2-pyridinyl)pyridin-2-one
CID 4556084
4-nitro-1-phenyltriazole
CID 15048683
4-(2-nitrophenyl)-1-(4-nitrophenyl)triazole
CID 101463885
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
4-(4-nitrophenyl)-1-(1,1,2,2,2-pentafluoroethyl)triazole
CID 171362997
7-nitro-3-phenylisoquinoline
CID 102237044
5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-amine
CID 16605810
2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole
CID 31246665

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(4-phenyltriazol-1-yl)pyridine?
The IUPAC name of 5-nitro-2-(4-phenyltriazol-1-yl)pyridine (CID 57341266) is 5-nitro-2-(4-phenyltriazol-1-yl)pyridine.
What is the SMILES notation for 5-nitro-2-(4-phenyltriazol-1-yl)pyridine?
The canonical SMILES for 5-nitro-2-(4-phenyltriazol-1-yl)pyridine is O=[N+]([O-])c1ccc(-n2cc(-c3ccccc3)nn2)nc1.
What is the InChIKey of 5-nitro-2-(4-phenyltriazol-1-yl)pyridine?
The InChIKey is WIGRFQYVNPAGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2/c19-18(20)11-6-7-13(14-8-11)17-9-12(15-16-17)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-nitro-2-(4-phenyltriazol-1-yl)pyridine?
5-nitro-2-(4-phenyltriazol-1-yl)pyridine has a molecular weight of 267.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(4-phenyltriazol-1-yl)pyridine is sourced from PubChem (CID 57341266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).