3-bromo-5-nitro-4-pyrazol-1-ylpyridine

C8H5BrN4O2 — CID 103519846

IUPAC3-bromo-5-nitro-4-pyrazol-1-ylpyridine
SMILESO=[N+]([O-])c1cncc(Br)c1-n1cccn1
InChIInChI=1S/C8H5BrN4O2/c9-6-4-10-5-7(13(14)15)8(6)12-3-1-2-11-12/h1-5H
InChIKeySGCYXVOAKHVYCC-UHFFFAOYSA-N
MW269.06 g/mol
LogP1.94
Rot. Bonds2

About 3-bromo-5-nitro-4-pyrazol-1-ylpyridine

3-bromo-5-nitro-4-pyrazol-1-ylpyridine (PubChem CID 103519846) has the molecular formula C8H5BrN4O2 and a molecular weight of 269.06 g/mol. Its IUPAC name is 3-bromo-5-nitro-4-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name3-bromo-5-nitro-4-pyrazol-1-ylpyridine
PubChem CID103519846
Molecular FormulaC8H5BrN4O2
Molecular Weight269.06 g/mol
Exact Mass267.96
IUPAC Name3-bromo-5-nitro-4-pyrazol-1-ylpyridine
SMILESO=[N+]([O-])c1cncc(Br)c1-n1cccn1
InChIInChI=1S/C8H5BrN4O2/c9-6-4-10-5-7(13(14)15)8(6)12-3-1-2-11-12/h1-5H
InChIKeySGCYXVOAKHVYCC-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitro-4-pyrazol-1-ylpyridine?
The IUPAC name of 3-bromo-5-nitro-4-pyrazol-1-ylpyridine (CID 103519846) is 3-bromo-5-nitro-4-pyrazol-1-ylpyridine.
What is the SMILES notation for 3-bromo-5-nitro-4-pyrazol-1-ylpyridine?
The canonical SMILES for 3-bromo-5-nitro-4-pyrazol-1-ylpyridine is O=[N+]([O-])c1cncc(Br)c1-n1cccn1.
What is the InChIKey of 3-bromo-5-nitro-4-pyrazol-1-ylpyridine?
The InChIKey is SGCYXVOAKHVYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN4O2/c9-6-4-10-5-7(13(14)15)8(6)12-3-1-2-11-12/h1-5H.
What are the key properties of 3-bromo-5-nitro-4-pyrazol-1-ylpyridine?
3-bromo-5-nitro-4-pyrazol-1-ylpyridine 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 3-bromo-5-nitro-4-pyrazol-1-ylpyridine is sourced from PubChem (CID 103519846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).