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

C8H5N5O4 — CID 12661217

IUPAC3-nitro-2-(4-nitropyrazol-1-yl)pyridine
SMILESO=[N+]([O-])c1cnn(-c2ncccc2[N+](=O)[O-])c1
InChIInChI=1S/C8H5N5O4/c14-12(15)6-4-10-11(5-6)8-7(13(16)17)2-1-3-9-8/h1-5H
InChIKeyLXYVUWZTZDJWLB-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.08
Rot. Bonds3

About 3-nitro-2-(4-nitropyrazol-1-yl)pyridine

3-nitro-2-(4-nitropyrazol-1-yl)pyridine (PubChem CID 12661217) has the molecular formula C8H5N5O4 and a molecular weight of 235.16 g/mol. Its IUPAC name is 3-nitro-2-(4-nitropyrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-nitro-2-(4-nitropyrazol-1-yl)pyridine
PubChem CID12661217
Molecular FormulaC8H5N5O4
Molecular Weight235.16 g/mol
Exact Mass235.03
IUPAC Name3-nitro-2-(4-nitropyrazol-1-yl)pyridine
SMILESO=[N+]([O-])c1cnn(-c2ncccc2[N+](=O)[O-])c1
InChIInChI=1S/C8H5N5O4/c14-12(15)6-4-10-11(5-6)8-7(13(16)17)2-1-3-9-8/h1-5H
InChIKeyLXYVUWZTZDJWLB-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 3-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-3-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 61373410
4-nitro-1-phenylpyrazole
CID 2755894
3-nitro-2-(4-nitropyrazol-1-yl)benzoic acid
CID 115930658
5-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 12602756
2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine
CID 170551654
2-(2-methylaziridin-1-yl)-3-nitropyridine
CID 10921096
5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine
CID 71974226
3-(3-nitro-2-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 22003999
5-bromo-2-(4-nitropyrazol-1-yl)pyridine
CID 61373223
2-[4-(diphenylphosphorylmethyl)triazol-1-yl]-3-nitropyridine
CID 139228993
1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653386
N,N-dimethyl-4-(4-nitropyrazol-1-yl)aniline
CID 176615895

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-(4-nitropyrazol-1-yl)pyridine?
The IUPAC name of 3-nitro-2-(4-nitropyrazol-1-yl)pyridine (CID 12661217) is 3-nitro-2-(4-nitropyrazol-1-yl)pyridine.
What is the SMILES notation for 3-nitro-2-(4-nitropyrazol-1-yl)pyridine?
The canonical SMILES for 3-nitro-2-(4-nitropyrazol-1-yl)pyridine is O=[N+]([O-])c1cnn(-c2ncccc2[N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-2-(4-nitropyrazol-1-yl)pyridine?
The InChIKey is LXYVUWZTZDJWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O4/c14-12(15)6-4-10-11(5-6)8-7(13(16)17)2-1-3-9-8/h1-5H.
What are the key properties of 3-nitro-2-(4-nitropyrazol-1-yl)pyridine?
3-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 3-nitro-2-(4-nitropyrazol-1-yl)pyridine is sourced from PubChem (CID 12661217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).