(3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine

C10H12Br2N2O — CID 168530791

IUPAC(3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine
SMILESCC(C)Oc1c(Br)cc(Br)cc1C=NN
InChIInChI=1S/C10H12Br2N2O/c1-6(2)15-10-7(5-14-13)3-8(11)4-9(10)12/h3-6H,13H2,1-2H3
InChIKeyBVTBYLSWWJARHH-UHFFFAOYSA-N
MW336.03 g/mol
LogP3.29
Rot. Bonds3

About (3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine

(3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine (PubChem CID 168530791) has the molecular formula C10H12Br2N2O and a molecular weight of 336.03 g/mol. Its IUPAC name is (3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine.

Molecular Properties

Compound Name(3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine
PubChem CID168530791
Molecular FormulaC10H12Br2N2O
Molecular Weight336.03 g/mol
Exact Mass333.93
IUPAC Name(3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine
SMILESCC(C)Oc1c(Br)cc(Br)cc1C=NN
InChIInChI=1S/C10H12Br2N2O/c1-6(2)15-10-7(5-14-13)3-8(11)4-9(10)12/h3-6H,13H2,1-2H3
InChIKeyBVTBYLSWWJARHH-UHFFFAOYSA-N
XLogP3.29
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine?
The IUPAC name of (3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine (CID 168530791) is (3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine.
What is the SMILES notation for (3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine?
The canonical SMILES for (3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine is CC(C)Oc1c(Br)cc(Br)cc1C=NN.
What is the InChIKey of (3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine?
The InChIKey is BVTBYLSWWJARHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O/c1-6(2)15-10-7(5-14-13)3-8(11)4-9(10)12/h3-6H,13H2,1-2H3.
What are the key properties of (3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine?
(3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine has a molecular weight of 336.03 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine is sourced from PubChem (CID 168530791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).