[(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine

C12H9Br2ClFN3 — CID 106765388

IUPAC[(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine
SMILESNNC(c1ccc(Br)cn1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H9Br2ClFN3/c13-6-1-4-9(18-5-6)12(19-17)7-2-3-8(14)10(15)11(7)16/h1-5,12,19H,17H2
InChIKeySISNFFRBZHNWTP-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.95
Rot. Bonds3

About [(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine

[(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine (PubChem CID 106765388) has the molecular formula C12H9Br2ClFN3 and a molecular weight of 409.48 g/mol. Its IUPAC name is [(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine
PubChem CID106765388
Molecular FormulaC12H9Br2ClFN3
Molecular Weight409.48 g/mol
Exact Mass406.88
IUPAC Name[(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine
SMILESNNC(c1ccc(Br)cn1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H9Br2ClFN3/c13-6-1-4-9(18-5-6)12(19-17)7-2-3-8(14)10(15)11(7)16/h1-5,12,19H,17H2
InChIKeySISNFFRBZHNWTP-UHFFFAOYSA-N
XLogP3.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine
CID 106765183
[(4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methyl]hydrazine
CID 106765345
[(4-bromo-3-chloro-2-fluorophenyl)-(2-chlorofuran-3-yl)methyl]hydrazine
CID 106765512
[(5-bromo-2-pyridinyl)-(2-ethoxy-3-fluoro-4-pyridinyl)methyl]hydrazine
CID 114270784
[(4-bromo-3-chloro-2-fluorophenyl)-(5-chloro-2-fluorophenyl)methyl]hydrazine
CID 106765419
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 106765249
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methyl]hydrazine
CID 107997423
[(4-bromo-3-chloro-2-fluorophenyl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 106765223
[(5-bromo-2-pyridinyl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 105267652
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine
CID 107541279
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]hydrazine
CID 106765528
[(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106765432

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine (CID 106765388) is [(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine is NNC(c1ccc(Br)cn1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of [(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine?
The InChIKey is SISNFFRBZHNWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClFN3/c13-6-1-4-9(18-5-6)12(19-17)7-2-3-8(14)10(15)11(7)16/h1-5,12,19H,17H2.
What are the key properties of [(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine?
[(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine has a molecular weight of 409.48 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 106765388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).