(2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine

C7H5BrFIN2 — CID 168531108

IUPAC(2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine
SMILESNN=Cc1cc(F)cc(I)c1Br
InChIInChI=1S/C7H5BrFIN2/c8-7-4(3-12-11)1-5(9)2-6(7)10/h1-3H,11H2
InChIKeyZJCIMJWCYRNWDZ-UHFFFAOYSA-N
MW342.94 g/mol
LogP2.49
Rot. Bonds1

About (2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine

(2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine (PubChem CID 168531108) has the molecular formula C7H5BrFIN2 and a molecular weight of 342.94 g/mol. Its IUPAC name is (2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine.

Molecular Properties

Compound Name(2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine
PubChem CID168531108
Molecular FormulaC7H5BrFIN2
Molecular Weight342.94 g/mol
Exact Mass341.87
IUPAC Name(2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine
SMILESNN=Cc1cc(F)cc(I)c1Br
InChIInChI=1S/C7H5BrFIN2/c8-7-4(3-12-11)1-5(9)2-6(7)10/h1-3H,11H2
InChIKeyZJCIMJWCYRNWDZ-UHFFFAOYSA-N
XLogP2.49
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine?
The IUPAC name of (2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine (CID 168531108) is (2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine.
What is the SMILES notation for (2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine?
The canonical SMILES for (2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine is NN=Cc1cc(F)cc(I)c1Br.
What is the InChIKey of (2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine?
The InChIKey is ZJCIMJWCYRNWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFIN2/c8-7-4(3-12-11)1-5(9)2-6(7)10/h1-3H,11H2.
What are the key properties of (2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine?
(2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine has a molecular weight of 342.94 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluoro-3-iodophenyl)methylidenehydrazine is sourced from PubChem (CID 168531108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).