[(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine

C13H11BrClFN2 — CID 105260937

IUPAC[(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)c(Br)c1)c1ccccc1F
InChIInChI=1S/C13H11BrClFN2/c14-10-7-8(5-6-11(10)15)13(18-17)9-3-1-2-4-12(9)16/h1-7,13,18H,17H2
InChIKeyPTBSOAYHUABTKE-UHFFFAOYSA-N
MW329.60 g/mol
LogP3.79
Rot. Bonds3

About [(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine

[(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine (PubChem CID 105260937) has the molecular formula C13H11BrClFN2 and a molecular weight of 329.60 g/mol. Its IUPAC name is [(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine
PubChem CID105260937
Molecular FormulaC13H11BrClFN2
Molecular Weight329.60 g/mol
Exact Mass327.98
IUPAC Name[(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)c(Br)c1)c1ccccc1F
InChIInChI=1S/C13H11BrClFN2/c14-10-7-8(5-6-11(10)15)13(18-17)9-3-1-2-4-12(9)16/h1-7,13,18H,17H2
InChIKeyPTBSOAYHUABTKE-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[(3-bromo-4-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 105264062
[(3-bromo-4-chlorophenyl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105261000
[(3-bromo-4-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105260967
[(3-bromo-4-fluorophenyl)-(2-chlorophenyl)methyl]hydrazine
CID 105263983
[(2-fluorophenyl)-phenylmethyl]hydrazine
CID 53402124
[(3-bromo-4-chlorophenyl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105261003
[(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine
CID 105253001
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 106765249
[(3-bromo-4-chlorophenyl)-(4-tert-butylphenyl)methyl]hydrazine
CID 105261121
[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]hydrazine
CID 105261045
[(2-bromophenyl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 107562324
[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]hydrazine
CID 105193293

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine (CID 105260937) is [(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine is NNC(c1ccc(Cl)c(Br)c1)c1ccccc1F.
What is the InChIKey of [(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine?
The InChIKey is PTBSOAYHUABTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2/c14-10-7-8(5-6-11(10)15)13(18-17)9-3-1-2-4-12(9)16/h1-7,13,18H,17H2.
What are the key properties of [(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine?
[(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine has a molecular weight of 329.60 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105260937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).