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

C8H5BrN4O2 — CID 61373223

IUPAC5-bromo-2-(4-nitropyrazol-1-yl)pyridine
SMILESO=[N+]([O-])c1cnn(-c2ccc(Br)cn2)c1
InChIInChI=1S/C8H5BrN4O2/c9-6-1-2-8(10-3-6)12-5-7(4-11-12)13(14)15/h1-5H
InChIKeyWCTHSHFCZCCPSR-UHFFFAOYSA-N
MW269.06 g/mol
LogP1.94
Rot. Bonds2

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

5-bromo-2-(4-nitropyrazol-1-yl)pyridine (PubChem CID 61373223) has the molecular formula C8H5BrN4O2 and a molecular weight of 269.06 g/mol. Its IUPAC name is 5-bromo-2-(4-nitropyrazol-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-nitropyrazol-1-yl)pyridine
PubChem CID61373223
Molecular FormulaC8H5BrN4O2
Molecular Weight269.06 g/mol
Exact Mass267.96
IUPAC Name5-bromo-2-(4-nitropyrazol-1-yl)pyridine
SMILESO=[N+]([O-])c1cnn(-c2ccc(Br)cn2)c1
InChIInChI=1S/C8H5BrN4O2/c9-6-1-2-8(10-3-6)12-5-7(4-11-12)13(14)15/h1-5H
InChIKeyWCTHSHFCZCCPSR-UHFFFAOYSA-N
XLogP1.94
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

5-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 12602756
2-(5-bromo-2-pyridinyl)-5-nitroindazole
CID 67126046
5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 61373410
5-bromo-2-(4-methoxypyrazol-1-yl)pyridine
CID 130511258
4-nitro-1-phenylpyrazole
CID 2755894
5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
CID 166174831
5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine
CID 71974226
5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine
CID 103099159
3-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 12661217
6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
CID 116798064
N,N-dimethyl-4-(4-nitropyrazol-1-yl)aniline
CID 176615895
2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine
CID 170551654

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-nitropyrazol-1-yl)pyridine?
The IUPAC name of 5-bromo-2-(4-nitropyrazol-1-yl)pyridine (CID 61373223) is 5-bromo-2-(4-nitropyrazol-1-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(4-nitropyrazol-1-yl)pyridine?
The canonical SMILES for 5-bromo-2-(4-nitropyrazol-1-yl)pyridine is O=[N+]([O-])c1cnn(-c2ccc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-(4-nitropyrazol-1-yl)pyridine?
The InChIKey is WCTHSHFCZCCPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN4O2/c9-6-1-2-8(10-3-6)12-5-7(4-11-12)13(14)15/h1-5H.
What are the key properties of 5-bromo-2-(4-nitropyrazol-1-yl)pyridine?
5-bromo-2-(4-nitropyrazol-1-yl)pyridine has a molecular weight of 269.06 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-nitropyrazol-1-yl)pyridine is sourced from PubChem (CID 61373223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).