[(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine

C13H10BrF2IN2 — CID 114027355

IUPAC[(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine
SMILESNNC(c1cc(I)ccc1Br)c1cccc(F)c1F
InChIInChI=1S/C13H10BrF2IN2/c14-10-5-4-7(17)6-9(10)13(19-18)8-2-1-3-11(15)12(8)16/h1-6,13,19H,18H2
InChIKeyQGLZDNAMIKKOCN-UHFFFAOYSA-N
MW439.04 g/mol
LogP3.88
Rot. Bonds3

About [(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine

[(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine (PubChem CID 114027355) has the molecular formula C13H10BrF2IN2 and a molecular weight of 439.04 g/mol. Its IUPAC name is [(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine
PubChem CID114027355
Molecular FormulaC13H10BrF2IN2
Molecular Weight439.04 g/mol
Exact Mass437.90
IUPAC Name[(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine
SMILESNNC(c1cc(I)ccc1Br)c1cccc(F)c1F
InChIInChI=1S/C13H10BrF2IN2/c14-10-5-4-7(17)6-9(10)13(19-18)8-2-1-3-11(15)12(8)16/h1-6,13,19H,18H2
InChIKeyQGLZDNAMIKKOCN-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.04
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2-bromo-5-iodophenyl)-(2,4-difluorophenyl)methyl]hydrazine
CID 114027340
[(4-bromo-2,6-difluorophenyl)-(2,3-difluorophenyl)methyl]hydrazine
CID 105309429
1-(2-bromo-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 115861862
[(2,3-difluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105309400
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 106765249
[(2,3-difluorophenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204059
N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 63509311
[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]hydrazine
CID 105193293
1-bromo-2-[1-bromo-2-(2,6-difluorophenyl)ethyl]-4-iodobenzene
CID 114026478
[(1R)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 124510602
[(2-bromo-3-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 105292326
[(2,3-difluorophenyl)-pyridin-4-ylmethyl]hydrazine
CID 105196453

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine?
The IUPAC name of [(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine (CID 114027355) is [(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine is NNC(c1cc(I)ccc1Br)c1cccc(F)c1F.
What is the InChIKey of [(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine?
The InChIKey is QGLZDNAMIKKOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2IN2/c14-10-5-4-7(17)6-9(10)13(19-18)8-2-1-3-11(15)12(8)16/h1-6,13,19H,18H2.
What are the key properties of [(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine?
[(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine has a molecular weight of 439.04 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine is sourced from PubChem (CID 114027355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).