[2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine

C13H11Br2F2N3 — CID 106271186

IUPAC[2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
SMILESNNC(Cc1c(F)ccc(Br)c1F)c1ccc(Br)cn1
InChIInChI=1S/C13H11Br2F2N3/c14-7-1-4-11(19-6-7)12(20-18)5-8-10(16)3-2-9(15)13(8)17/h1-4,6,12,20H,5,18H2
InChIKeyXOPHKSPMFPWNLS-UHFFFAOYSA-N
MW407.06 g/mol
LogP3.63
Rot. Bonds4

About [2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine

[2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine (PubChem CID 106271186) has the molecular formula C13H11Br2F2N3 and a molecular weight of 407.06 g/mol. Its IUPAC name is [2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
PubChem CID106271186
Molecular FormulaC13H11Br2F2N3
Molecular Weight407.06 g/mol
Exact Mass404.93
IUPAC Name[2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
SMILESNNC(Cc1c(F)ccc(Br)c1F)c1ccc(Br)cn1
InChIInChI=1S/C13H11Br2F2N3/c14-7-1-4-11(19-6-7)12(20-18)5-8-10(16)3-2-9(15)13(8)17/h1-4,6,12,20H,5,18H2
InChIKeyXOPHKSPMFPWNLS-UHFFFAOYSA-N
XLogP3.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.06
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]hydrazine
CID 106271083
[2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
CID 106271658
[2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine
CID 106271490
[2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
CID 105267678
[2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-pyridinyl)ethyl]hydrazine
CID 106271188
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]hydrazine
CID 106271662
[1-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 105251626
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
CID 106265600
[1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106271060
[2-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 106270697
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740
[2-(3-bromo-2,6-difluorophenyl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 106271954

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine (CID 106271186) is [2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine is NNC(Cc1c(F)ccc(Br)c1F)c1ccc(Br)cn1.
What is the InChIKey of [2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine?
The InChIKey is XOPHKSPMFPWNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2F2N3/c14-7-1-4-11(19-6-7)12(20-18)5-8-10(16)3-2-9(15)13(8)17/h1-4,6,12,20H,5,18H2.
What are the key properties of [2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine?
[2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine has a molecular weight of 407.06 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 106271186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).