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

C8H5N5O4 — CID 12602756

IUPAC5-nitro-2-(4-nitropyrazol-1-yl)pyridine
SMILESO=[N+]([O-])c1ccc(-n2cc([N+](=O)[O-])cn2)nc1
InChIInChI=1S/C8H5N5O4/c14-12(15)6-1-2-8(9-3-6)11-5-7(4-10-11)13(16)17/h1-5H
InChIKeyYDFJBZNXZHUDGZ-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.08
Rot. Bonds3

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

5-nitro-2-(4-nitropyrazol-1-yl)pyridine (PubChem CID 12602756) has the molecular formula C8H5N5O4 and a molecular weight of 235.16 g/mol. Its IUPAC name is 5-nitro-2-(4-nitropyrazol-1-yl)pyridine.

Molecular Properties

Compound Name5-nitro-2-(4-nitropyrazol-1-yl)pyridine
PubChem CID12602756
Molecular FormulaC8H5N5O4
Molecular Weight235.16 g/mol
Exact Mass235.03
IUPAC Name5-nitro-2-(4-nitropyrazol-1-yl)pyridine
SMILESO=[N+]([O-])c1ccc(-n2cc([N+](=O)[O-])cn2)nc1
InChIInChI=1S/C8H5N5O4/c14-12(15)6-1-2-8(9-3-6)11-5-7(4-10-11)13(16)17/h1-5H
InChIKeyYDFJBZNXZHUDGZ-UHFFFAOYSA-N
XLogP1.08
TPSA116.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.08
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'}

Analyze 5-nitro-2-(4-nitropyrazol-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

5-bromo-2-(4-nitropyrazol-1-yl)pyridine
CID 61373223
4-nitro-1-phenylpyrazole
CID 2755894
5-nitro-2-(4-phenyltriazol-1-yl)pyridine
CID 57341266
2-[4-(4-methylphenyl)triazol-1-yl]-5-nitropyridine
CID 57341267
5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine
CID 71974226
3-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 12661217
3-(5-nitro-2-pyridinyl)-3-azabicyclo[3.2.0]heptane
CID 66907896
1-(5-nitro-2-pyridinyl)pyridin-2-one
CID 4556084
2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine
CID 170551654
N,N-dimethyl-4-(4-nitropyrazol-1-yl)aniline
CID 176615895
5-nitro-2-pyrazolidin-1-ylpyridine
CID 130927658
3-(5-nitro-2-pyridinyl)-3,9-diazaspiro[5.5]undecane
CID 71302762

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(4-nitropyrazol-1-yl)pyridine?
The IUPAC name of 5-nitro-2-(4-nitropyrazol-1-yl)pyridine (CID 12602756) is 5-nitro-2-(4-nitropyrazol-1-yl)pyridine.
What is the SMILES notation for 5-nitro-2-(4-nitropyrazol-1-yl)pyridine?
The canonical SMILES for 5-nitro-2-(4-nitropyrazol-1-yl)pyridine is O=[N+]([O-])c1ccc(-n2cc([N+](=O)[O-])cn2)nc1.
What is the InChIKey of 5-nitro-2-(4-nitropyrazol-1-yl)pyridine?
The InChIKey is YDFJBZNXZHUDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O4/c14-12(15)6-1-2-8(9-3-6)11-5-7(4-10-11)13(16)17/h1-5H.
What are the key properties of 5-nitro-2-(4-nitropyrazol-1-yl)pyridine?
5-nitro-2-(4-nitropyrazol-1-yl)pyridine has a molecular weight of 235.16 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(4-nitropyrazol-1-yl)pyridine is sourced from PubChem (CID 12602756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).