2-bromo-4,5-dimethoxybenzenecarboximidamide

C9H11BrN2O2 — CID 60926806

IUPAC2-bromo-4,5-dimethoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C9H11BrN2O2/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H3,11,12)
InChIKeyYZLWHZGFGVSGPD-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.75
Rot. Bonds3

About 2-bromo-4,5-dimethoxybenzenecarboximidamide

2-bromo-4,5-dimethoxybenzenecarboximidamide (PubChem CID 60926806) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxybenzenecarboximidamide
PubChem CID60926806
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-bromo-4,5-dimethoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C9H11BrN2O2/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H3,11,12)
InChIKeyYZLWHZGFGVSGPD-UHFFFAOYSA-N
XLogP1.75
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxybenzenecarboximidamide?
The IUPAC name of 2-bromo-4,5-dimethoxybenzenecarboximidamide (CID 60926806) is 2-bromo-4,5-dimethoxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4,5-dimethoxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-4,5-dimethoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(OC)c(OC)cc1Br.
What is the InChIKey of 2-bromo-4,5-dimethoxybenzenecarboximidamide?
The InChIKey is YZLWHZGFGVSGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H3,11,12).
What are the key properties of 2-bromo-4,5-dimethoxybenzenecarboximidamide?
2-bromo-4,5-dimethoxybenzenecarboximidamide has a molecular weight of 259.10 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethoxybenzenecarboximidamide is sourced from PubChem (CID 60926806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).