[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine

C8H5BrF2N4O — CID 107539893

IUPAC[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine
SMILESNNc1nc(-c2ccc(F)c(F)c2Br)no1
InChIInChI=1S/C8H5BrF2N4O/c9-5-3(1-2-4(10)6(5)11)7-13-8(14-12)16-15-7/h1-2H,12H2,(H,13,14,15)
InChIKeyQNIDDINASNEWFZ-UHFFFAOYSA-N
MW291.06 g/mol
LogP2.06
Rot. Bonds2

About [3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine

[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine (PubChem CID 107539893) has the molecular formula C8H5BrF2N4O and a molecular weight of 291.06 g/mol. Its IUPAC name is [3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine
PubChem CID107539893
Molecular FormulaC8H5BrF2N4O
Molecular Weight291.06 g/mol
Exact Mass289.96
IUPAC Name[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine
SMILESNNc1nc(-c2ccc(F)c(F)c2Br)no1
InChIInChI=1S/C8H5BrF2N4O/c9-5-3(1-2-4(10)6(5)11)7-13-8(14-12)16-15-7/h1-2H,12H2,(H,13,14,15)
InChIKeyQNIDDINASNEWFZ-UHFFFAOYSA-N
XLogP2.06
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.06
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromo-3,4-difluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 107539888
3-(2-bromo-3,4-difluorophenyl)-N-cyclopropyl-1,2,4-oxadiazol-5-amine
CID 107539889
2-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 107537161
1-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 107537233
[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 107537138
2-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 107537151
3-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 107541027
4-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107537285
4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine
CID 107537902
N-[[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 107537171
(1S)-1-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 107537217
5-(azetidin-3-ylmethyl)-3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazole
CID 107537229

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine?
The IUPAC name of [3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine (CID 107539893) is [3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine.
What is the SMILES notation for [3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine?
The canonical SMILES for [3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine is NNc1nc(-c2ccc(F)c(F)c2Br)no1.
What is the InChIKey of [3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine?
The InChIKey is QNIDDINASNEWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N4O/c9-5-3(1-2-4(10)6(5)11)7-13-8(14-12)16-15-7/h1-2H,12H2,(H,13,14,15).
What are the key properties of [3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine?
[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine has a molecular weight of 291.06 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]hydrazine is sourced from PubChem (CID 107539893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).