[(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine

C13H13BrClFN4 — CID 106765502

IUPAC[(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(Br)c(Cl)c2F)c(C)nn1
InChIInChI=1S/C13H13BrClFN4/c1-6-5-9(7(2)20-19-6)13(18-17)8-3-4-10(14)11(15)12(8)16/h3-5,13,18H,17H2,1-2H3
InChIKeyZCDVHSUHDRHCIC-UHFFFAOYSA-N
MW359.63 g/mol
LogP3.20
Rot. Bonds3

About [(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine

[(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine (PubChem CID 106765502) has the molecular formula C13H13BrClFN4 and a molecular weight of 359.63 g/mol. Its IUPAC name is [(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine
PubChem CID106765502
Molecular FormulaC13H13BrClFN4
Molecular Weight359.63 g/mol
Exact Mass358.00
IUPAC Name[(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(Br)c(Cl)c2F)c(C)nn1
InChIInChI=1S/C13H13BrClFN4/c1-6-5-9(7(2)20-19-6)13(18-17)8-3-4-10(14)11(15)12(8)16/h3-5,13,18H,17H2,1-2H3
InChIKeyZCDVHSUHDRHCIC-UHFFFAOYSA-N
XLogP3.20
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.63
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(2,3-difluoro-4-methylphenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine
CID 107516709
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]hydrazine
CID 106765528
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methyl]hydrazine
CID 107997423
[(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106765432
[(4-bromo-3-chloro-2-fluorophenyl)-(5-chloro-2-fluorophenyl)methyl]hydrazine
CID 106765419
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine
CID 114024336
[(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 106765567
[(3,6-dimethylpyridazin-4-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302511
[(2,4-difluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine
CID 105303258
[(4-bromo-3-chloro-2-fluorophenyl)-(2-chlorofuran-3-yl)methyl]hydrazine
CID 106765512
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 106765249
[(4-bromo-3-chloro-2-fluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 106765223

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine (CID 106765502) is [(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine is Cc1cc(C(NN)c2ccc(Br)c(Cl)c2F)c(C)nn1.
What is the InChIKey of [(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine?
The InChIKey is ZCDVHSUHDRHCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClFN4/c1-6-5-9(7(2)20-19-6)13(18-17)8-3-4-10(14)11(15)12(8)16/h3-5,13,18H,17H2,1-2H3.
What are the key properties of [(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine?
[(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine has a molecular weight of 359.63 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-3-chloro-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine is sourced from PubChem (CID 106765502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).