1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide

C11H10BrFN6O2 — CID 171782063

IUPAC1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide
SMILESNNC(=O)c1nn(-c2c(F)cccc2Br)c(=O)cc1NN
InChIInChI=1S/C11H10BrFN6O2/c12-5-2-1-3-6(13)10(5)19-8(20)4-7(16-14)9(18-19)11(21)17-15/h1-4,16H,14-15H2,(H,17,21)
InChIKeyKGKFWDQJKSMQOV-UHFFFAOYSA-N
MW357.14 g/mol
LogP0.02
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide

1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide (PubChem CID 171782063) has the molecular formula C11H10BrFN6O2 and a molecular weight of 357.14 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide
PubChem CID171782063
Molecular FormulaC11H10BrFN6O2
Molecular Weight357.14 g/mol
Exact Mass356.00
IUPAC Name1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide
SMILESNNC(=O)c1nn(-c2c(F)cccc2Br)c(=O)cc1NN
InChIInChI=1S/C11H10BrFN6O2/c12-5-2-1-3-6(13)10(5)19-8(20)4-7(16-14)9(18-19)11(21)17-15/h1-4,16H,14-15H2,(H,17,21)
InChIKeyKGKFWDQJKSMQOV-UHFFFAOYSA-N
XLogP0.02
TPSA128.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.14
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide (CID 171782063) is 1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide is NNC(=O)c1nn(-c2c(F)cccc2Br)c(=O)cc1NN.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide?
The InChIKey is KGKFWDQJKSMQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN6O2/c12-5-2-1-3-6(13)10(5)19-8(20)4-7(16-14)9(18-19)11(21)17-15/h1-4,16H,14-15H2,(H,17,21).
What are the key properties of 1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide?
1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide has a molecular weight of 357.14 g/mol, XLogP of 0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-4-hydrazinyl-6-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 171782063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).