[5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine

C7H6BrIN6 — CID 80902772

IUPAC[5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Br)c(-n2cc(I)cn2)n1
InChIInChI=1S/C7H6BrIN6/c8-5-2-11-7(14-10)13-6(5)15-3-4(9)1-12-15/h1-3H,10H2,(H,11,13,14)
InChIKeyFMWSWUVGDMAOJO-UHFFFAOYSA-N
MW380.98 g/mol
LogP1.32
Rot. Bonds2

About [5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine

[5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine (PubChem CID 80902772) has the molecular formula C7H6BrIN6 and a molecular weight of 380.98 g/mol. Its IUPAC name is [5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine
PubChem CID80902772
Molecular FormulaC7H6BrIN6
Molecular Weight380.98 g/mol
Exact Mass379.89
IUPAC Name[5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Br)c(-n2cc(I)cn2)n1
InChIInChI=1S/C7H6BrIN6/c8-5-2-11-7(14-10)13-6(5)15-3-4(9)1-12-15/h1-3H,10H2,(H,11,13,14)
InChIKeyFMWSWUVGDMAOJO-UHFFFAOYSA-N
XLogP1.32
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.98
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine
CID 80852890
[5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80928074
[5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80928369
3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine
CID 105367487
5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
CID 80930723
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 80902996
[5-chloro-4-(4-phenylpyrazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80901909
[5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80896698
[6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80903935
5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868730
[5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917725
[5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine
CID 80925546

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine (CID 80902772) is [5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine is NNc1ncc(Br)c(-n2cc(I)cn2)n1.
What is the InChIKey of [5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is FMWSWUVGDMAOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrIN6/c8-5-2-11-7(14-10)13-6(5)15-3-4(9)1-12-15/h1-3H,10H2,(H,11,13,14).
What are the key properties of [5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine?
[5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 380.98 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80902772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).