[1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine

C15H17BrFN3 — CID 105296709

IUPAC[1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
SMILESNNC(CCc1cccnc1)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H17BrFN3/c16-15-9-13(17)5-4-12(15)8-14(20-18)6-3-11-2-1-7-19-10-11/h1-2,4-5,7,9-10,14,20H,3,6,8,18H2
InChIKeyXDRITBAITOKMEB-UHFFFAOYSA-N
MW338.22 g/mol
LogP2.99
Rot. Bonds6

About [1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine

[1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine (PubChem CID 105296709) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is [1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
PubChem CID105296709
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name[1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
SMILESNNC(CCc1cccnc1)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H17BrFN3/c16-15-9-13(17)5-4-12(15)8-14(20-18)6-3-11-2-1-7-19-10-11/h1-2,4-5,7,9-10,14,20H,3,6,8,18H2
InChIKeyXDRITBAITOKMEB-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-bromo-2-chlorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105335245
[1-(4-chloro-2-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105342751
1-(2-bromo-5-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105136731
[1-(2,6-difluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105342897
[1-(2,5-dichlorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105309892
[1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105299352
[1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105287766
1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105087512
1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105105357
[1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105297114
[1-(2-bromo-4-fluorophenyl)-5-thiophen-2-ylpentan-2-yl]hydrazine
CID 105296704
[1-(2-bromo-4-fluorophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105296727

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine (CID 105296709) is [1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine is NNC(CCc1cccnc1)Cc1ccc(F)cc1Br.
What is the InChIKey of [1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine?
The InChIKey is XDRITBAITOKMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c16-15-9-13(17)5-4-12(15)8-14(20-18)6-3-11-2-1-7-19-10-11/h1-2,4-5,7,9-10,14,20H,3,6,8,18H2.
What are the key properties of [1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine?
[1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine has a molecular weight of 338.22 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine is sourced from PubChem (CID 105296709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).