(6-bromo-1,3-benzodioxol-5-yl)methylhydrazine

C8H9BrN2O2 — CID 16772287

IUPAC(6-bromo-1,3-benzodioxol-5-yl)methylhydrazine
SMILESNNCc1cc2c(cc1Br)OCO2
InChIInChI=1S/C8H9BrN2O2/c9-6-2-8-7(12-4-13-8)1-5(6)3-11-10/h1-2,11H,3-4,10H2
InChIKeyGFBRHYMIPPWCNK-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.14
Rot. Bonds2

About (6-bromo-1,3-benzodioxol-5-yl)methylhydrazine

(6-bromo-1,3-benzodioxol-5-yl)methylhydrazine (PubChem CID 16772287) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is (6-bromo-1,3-benzodioxol-5-yl)methylhydrazine.

Molecular Properties

Compound Name(6-bromo-1,3-benzodioxol-5-yl)methylhydrazine
PubChem CID16772287
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name(6-bromo-1,3-benzodioxol-5-yl)methylhydrazine
SMILESNNCc1cc2c(cc1Br)OCO2
InChIInChI=1S/C8H9BrN2O2/c9-6-2-8-7(12-4-13-8)1-5(6)3-11-10/h1-2,11H,3-4,10H2
InChIKeyGFBRHYMIPPWCNK-UHFFFAOYSA-N
XLogP1.14
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-bromo-1,3-benzodioxol-5-yl)-N-methoxymethanamine
CID 115279443
N'-[(6-bromo-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 60887613
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,5-dimethylaniline
CID 43393526
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine
CID 60685789
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2,2-difluoroethanamine
CID 115405665
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,4,5-trifluoroaniline
CID 62809320
4-bromo-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2,6-difluoroaniline
CID 65469458
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-fluoropropan-1-amine
CID 115733052
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-methoxyethanamine
CID 43391894
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365576
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904498
1-(6-bromo-1,3-benzodioxol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82710639

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1,3-benzodioxol-5-yl)methylhydrazine?
The IUPAC name of (6-bromo-1,3-benzodioxol-5-yl)methylhydrazine (CID 16772287) is (6-bromo-1,3-benzodioxol-5-yl)methylhydrazine.
What is the SMILES notation for (6-bromo-1,3-benzodioxol-5-yl)methylhydrazine?
The canonical SMILES for (6-bromo-1,3-benzodioxol-5-yl)methylhydrazine is NNCc1cc2c(cc1Br)OCO2.
What is the InChIKey of (6-bromo-1,3-benzodioxol-5-yl)methylhydrazine?
The InChIKey is GFBRHYMIPPWCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c9-6-2-8-7(12-4-13-8)1-5(6)3-11-10/h1-2,11H,3-4,10H2.
What are the key properties of (6-bromo-1,3-benzodioxol-5-yl)methylhydrazine?
(6-bromo-1,3-benzodioxol-5-yl)methylhydrazine has a molecular weight of 245.08 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1,3-benzodioxol-5-yl)methylhydrazine is sourced from PubChem (CID 16772287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).