[(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine

C15H16BrIN2O2 — CID 103524744

IUPAC[(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2ccc(I)cc2)c(OC)c1Br
InChIInChI=1S/C15H16BrIN2O2/c1-20-12-8-7-11(15(21-2)13(12)16)14(19-18)9-3-5-10(17)6-4-9/h3-8,14,19H,18H2,1-2H3
InChIKeyMDKZCOYKJVOFTM-UHFFFAOYSA-N
MW463.11 g/mol
LogP3.62
Rot. Bonds5

About [(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine

[(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine (PubChem CID 103524744) has the molecular formula C15H16BrIN2O2 and a molecular weight of 463.11 g/mol. Its IUPAC name is [(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine
PubChem CID103524744
Molecular FormulaC15H16BrIN2O2
Molecular Weight463.11 g/mol
Exact Mass461.94
IUPAC Name[(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2ccc(I)cc2)c(OC)c1Br
InChIInChI=1S/C15H16BrIN2O2/c1-20-12-8-7-11(15(21-2)13(12)16)14(19-18)9-3-5-10(17)6-4-9/h3-8,14,19H,18H2,1-2H3
InChIKeyMDKZCOYKJVOFTM-UHFFFAOYSA-N
XLogP3.62
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.11
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(3-bromo-2,4-dimethoxyphenyl)-pyridin-4-ylmethyl]hydrazine
CID 103524568
4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
CID 103524628
4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 103524627
[(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 114027382
[(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 103524736
[(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine
CID 103524729
[(3-bromo-2,4-dimethoxyphenyl)-cyclohexylmethyl]hydrazine
CID 103524580
[(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436388
[(5-bromo-2-methoxyphenyl)-(4-fluorophenyl)methyl]hydrazine
CID 112742212
[(4-bromophenyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 105192470
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103524439
[(4-bromophenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105192317

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine (CID 103524744) is [(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine is COc1ccc(C(NN)c2ccc(I)cc2)c(OC)c1Br.
What is the InChIKey of [(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine?
The InChIKey is MDKZCOYKJVOFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrIN2O2/c1-20-12-8-7-11(15(21-2)13(12)16)14(19-18)9-3-5-10(17)6-4-9/h3-8,14,19H,18H2,1-2H3.
What are the key properties of [(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine?
[(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine has a molecular weight of 463.11 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine is sourced from PubChem (CID 103524744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).