(6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine

C9H11BrN2O2 — CID 168529699

IUPAC(6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine
SMILESCOc1ccc(Br)c(C=NN)c1OC
InChIInChI=1S/C9H11BrN2O2/c1-13-8-4-3-7(10)6(5-12-11)9(8)14-2/h3-5H,11H2,1-2H3
InChIKeyLLDSBVHDXFPGRD-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.76
Rot. Bonds3

About (6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine

(6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine (PubChem CID 168529699) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is (6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine.

Molecular Properties

Compound Name(6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine
PubChem CID168529699
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name(6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine
SMILESCOc1ccc(Br)c(C=NN)c1OC
InChIInChI=1S/C9H11BrN2O2/c1-13-8-4-3-7(10)6(5-12-11)9(8)14-2/h3-5H,11H2,1-2H3
InChIKeyLLDSBVHDXFPGRD-UHFFFAOYSA-N
XLogP1.76
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
N-[(6-bromo-2,3-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576749
(5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine
CID 168531018
1-bromo-3,4-dimethoxy-2-methylsulfanylbenzene
CID 15692127
3-bromo-2-[[(2S,3S)-3-[(6-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]butan-2-yl]iminomethyl]-6-methoxyphenol
CID 162415880
(3-bromo-2-formyl-6-methoxyphenyl) acetate
CID 10192904
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
(3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine
CID 168531252
1-bromo-4-methoxynaphthalene;ethane
CID 143974048
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015
6-bromo-3-methoxy-2-propoxybenzaldehyde
CID 66529298
6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
CID 167722100

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine?
The IUPAC name of (6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine (CID 168529699) is (6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine.
What is the SMILES notation for (6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine?
The canonical SMILES for (6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine is COc1ccc(Br)c(C=NN)c1OC.
What is the InChIKey of (6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine?
The InChIKey is LLDSBVHDXFPGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-13-8-4-3-7(10)6(5-12-11)9(8)14-2/h3-5H,11H2,1-2H3.
What are the key properties of (6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine?
(6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine has a molecular weight of 259.10 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3-dimethoxyphenyl)methylidenehydrazine is sourced from PubChem (CID 168529699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).