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

C8H4BrN5O4 — CID 61373410

IUPAC5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine
SMILESO=[N+]([O-])c1cnn(-c2ncc(Br)cc2[N+](=O)[O-])c1
InChIInChI=1S/C8H4BrN5O4/c9-5-1-7(14(17)18)8(10-2-5)12-4-6(3-11-12)13(15)16/h1-4H
InChIKeyQYGFPHBKAXYFFB-UHFFFAOYSA-N
MW314.06 g/mol
LogP1.85
Rot. Bonds3

About 5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine

5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine (PubChem CID 61373410) has the molecular formula C8H4BrN5O4 and a molecular weight of 314.06 g/mol. Its IUPAC name is 5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine
PubChem CID61373410
Molecular FormulaC8H4BrN5O4
Molecular Weight314.06 g/mol
Exact Mass312.94
IUPAC Name5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine
SMILESO=[N+]([O-])c1cnn(-c2ncc(Br)cc2[N+](=O)[O-])c1
InChIInChI=1S/C8H4BrN5O4/c9-5-1-7(14(17)18)8(10-2-5)12-4-6(3-11-12)13(15)16/h1-4H
InChIKeyQYGFPHBKAXYFFB-UHFFFAOYSA-N
XLogP1.85
TPSA116.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.06
LogP ≤ 51.85
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

3-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 12661217
5-bromo-3-nitro-2-(triazol-1-yl)pyridine
CID 133061285
5-bromo-2-(4-nitropyrazol-1-yl)pyridine
CID 61373223
2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine
CID 170551654
6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438090
5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine
CID 61375860
5-bromo-2-(4-tert-butylpiperidin-1-yl)-3-nitropyridine
CID 62085266
5-(5-bromo-3-nitro-2-pyridinyl)-5-azaspiro[2.4]heptane
CID 167947252
1-(5-bromo-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
CID 115305468
3-(5-bromo-3-nitro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369355
1-(5-bromo-3-nitro-2-pyridinyl)-3,3-dimethylpiperazine
CID 82994314
5-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 12602756

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine?
The IUPAC name of 5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine (CID 61373410) is 5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine.
What is the SMILES notation for 5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine?
The canonical SMILES for 5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine is O=[N+]([O-])c1cnn(-c2ncc(Br)cc2[N+](=O)[O-])c1.
What is the InChIKey of 5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine?
The InChIKey is QYGFPHBKAXYFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrN5O4/c9-5-1-7(14(17)18)8(10-2-5)12-4-6(3-11-12)13(15)16/h1-4H.
What are the key properties of 5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine?
5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine has a molecular weight of 314.06 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine is sourced from PubChem (CID 61373410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).