[3-(bromomethyl)-2-iodophenyl]hydrazine

C7H8BrIN2 — CID 130781602

IUPAC[3-(bromomethyl)-2-iodophenyl]hydrazine
SMILESNNc1cccc(CBr)c1I
InChIInChI=1S/C7H8BrIN2/c8-4-5-2-1-3-6(11-10)7(5)9/h1-3,11H,4,10H2
InChIKeyHFVHLKHOWLRITA-UHFFFAOYSA-N
MW326.96 g/mol
LogP2.47
Rot. Bonds2

About [3-(bromomethyl)-2-iodophenyl]hydrazine

[3-(bromomethyl)-2-iodophenyl]hydrazine (PubChem CID 130781602) has the molecular formula C7H8BrIN2 and a molecular weight of 326.96 g/mol. Its IUPAC name is [3-(bromomethyl)-2-iodophenyl]hydrazine.

Molecular Properties

Compound Name[3-(bromomethyl)-2-iodophenyl]hydrazine
PubChem CID130781602
Molecular FormulaC7H8BrIN2
Molecular Weight326.96 g/mol
Exact Mass325.89
IUPAC Name[3-(bromomethyl)-2-iodophenyl]hydrazine
SMILESNNc1cccc(CBr)c1I
InChIInChI=1S/C7H8BrIN2/c8-4-5-2-1-3-6(11-10)7(5)9/h1-3,11H,4,10H2
InChIKeyHFVHLKHOWLRITA-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.96
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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

(3-ethyl-2-fluorophenyl)hydrazine
CID 130780549
2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline
CID 71416566
[2-bromo-3-(fluoromethyl)phenyl]hydrazine
CID 118824418
[2-(bromomethyl)-3-fluorophenyl]hydrazine
CID 131075605
3-(bromomethyl)-4-hydrazinylphenol
CID 130779190
2-ethyl-6-hydrazinylbenzoic acid
CID 130775048
3-(hydrazinylmethyl)-2-iodophenol;hydrochloride
CID 135395452
(3-iodo-2-methylphenyl)hydrazine
CID 130164632
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
ethyl 2-(bromomethyl)-3-hydrazinylbenzoate
CID 134648707
1,3-bis(bromomethyl)-2-chlorobenzene
CID 612956
1,3-diethyl-2-iodobenzene
CID 18690512

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)-2-iodophenyl]hydrazine?
The IUPAC name of [3-(bromomethyl)-2-iodophenyl]hydrazine (CID 130781602) is [3-(bromomethyl)-2-iodophenyl]hydrazine.
What is the SMILES notation for [3-(bromomethyl)-2-iodophenyl]hydrazine?
The canonical SMILES for [3-(bromomethyl)-2-iodophenyl]hydrazine is NNc1cccc(CBr)c1I.
What is the InChIKey of [3-(bromomethyl)-2-iodophenyl]hydrazine?
The InChIKey is HFVHLKHOWLRITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrIN2/c8-4-5-2-1-3-6(11-10)7(5)9/h1-3,11H,4,10H2.
What are the key properties of [3-(bromomethyl)-2-iodophenyl]hydrazine?
[3-(bromomethyl)-2-iodophenyl]hydrazine has a molecular weight of 326.96 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)-2-iodophenyl]hydrazine is sourced from PubChem (CID 130781602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).