2,6-dimethoxybenzohydrazide

C9H12N2O3 — CID 2806104

IUPAC2,6-dimethoxybenzohydrazide
SMILESCOc1cccc(OC)c1C(=O)NN
InChIInChI=1S/C9H12N2O3/c1-13-6-4-3-5-7(14-2)8(6)9(12)11-10/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyIAGDFYJEYKQMPQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.31
Rot. Bonds3

About 2,6-dimethoxybenzohydrazide

2,6-dimethoxybenzohydrazide (PubChem CID 2806104) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2,6-dimethoxybenzohydrazide.

Molecular Properties

Compound Name2,6-dimethoxybenzohydrazide
PubChem CID2806104
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2,6-dimethoxybenzohydrazide
SMILESCOc1cccc(OC)c1C(=O)NN
InChIInChI=1S/C9H12N2O3/c1-13-6-4-3-5-7(14-2)8(6)9(12)11-10/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyIAGDFYJEYKQMPQ-UHFFFAOYSA-N
XLogP0.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxybenzohydrazide
CID 24051
4-hydroxy-2,6-dimethoxybenzohydrazide
CID 59092606
3-methoxy-2-methylbenzohydrazide
CID 45091273
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
N-ethanethioyl-2,6-dimethoxybenzamide
CID 849614
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 59001680
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
N-(1-bromo-2-methylpropan-2-yl)-2,6-dimethoxybenzamide
CID 113274115
N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
3,7-dimethoxy-1-benzofuran-2-carbohydrazide
CID 57464190

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxybenzohydrazide?
The IUPAC name of 2,6-dimethoxybenzohydrazide (CID 2806104) is 2,6-dimethoxybenzohydrazide.
What is the SMILES notation for 2,6-dimethoxybenzohydrazide?
The canonical SMILES for 2,6-dimethoxybenzohydrazide is COc1cccc(OC)c1C(=O)NN.
What is the InChIKey of 2,6-dimethoxybenzohydrazide?
The InChIKey is IAGDFYJEYKQMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-13-6-4-3-5-7(14-2)8(6)9(12)11-10/h3-5H,10H2,1-2H3,(H,11,12).
What are the key properties of 2,6-dimethoxybenzohydrazide?
2,6-dimethoxybenzohydrazide has a molecular weight of 196.21 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxybenzohydrazide is sourced from PubChem (CID 2806104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).