[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine

C9H9BrN6O2 — CID 62470161

IUPAC[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine
SMILESNNc1ncccc1Cn1cc(Br)c([N+](=O)[O-])n1
InChIInChI=1S/C9H9BrN6O2/c10-7-5-15(14-9(7)16(17)18)4-6-2-1-3-12-8(6)13-11/h1-3,5H,4,11H2,(H,12,13)
InChIKeyFNAXIGUQEFCFOQ-UHFFFAOYSA-N
MW313.12 g/mol
LogP1.28
Rot. Bonds4

About [3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine

[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine (PubChem CID 62470161) has the molecular formula C9H9BrN6O2 and a molecular weight of 313.12 g/mol. Its IUPAC name is [3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine
PubChem CID62470161
Molecular FormulaC9H9BrN6O2
Molecular Weight313.12 g/mol
Exact Mass312.00
IUPAC Name[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine
SMILESNNc1ncccc1Cn1cc(Br)c([N+](=O)[O-])n1
InChIInChI=1S/C9H9BrN6O2/c10-7-5-15(14-9(7)16(17)18)4-6-2-1-3-12-8(6)13-11/h1-3,5H,4,11H2,(H,12,13)
InChIKeyFNAXIGUQEFCFOQ-UHFFFAOYSA-N
XLogP1.28
TPSA111.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.12
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine (CID 62470161) is [3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine is NNc1ncccc1Cn1cc(Br)c([N+](=O)[O-])n1.
What is the InChIKey of [3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine?
The InChIKey is FNAXIGUQEFCFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN6O2/c10-7-5-15(14-9(7)16(17)18)4-6-2-1-3-12-8(6)13-11/h1-3,5H,4,11H2,(H,12,13).
What are the key properties of [3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine?
[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine has a molecular weight of 313.12 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62470161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).