4-bromo-2,6-dichlorobenzenecarboximidamide

C7H5BrCl2N2 — CID 118348201

IUPAC4-bromo-2,6-dichlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C7H5BrCl2N2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H3,11,12)
InChIKeyCKAZXTOAFCMOJP-UHFFFAOYSA-N
MW267.94 g/mol
LogP3.04
Rot. Bonds1

About 4-bromo-2,6-dichlorobenzenecarboximidamide

4-bromo-2,6-dichlorobenzenecarboximidamide (PubChem CID 118348201) has the molecular formula C7H5BrCl2N2 and a molecular weight of 267.94 g/mol. Its IUPAC name is 4-bromo-2,6-dichlorobenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2,6-dichlorobenzenecarboximidamide
PubChem CID118348201
Molecular FormulaC7H5BrCl2N2
Molecular Weight267.94 g/mol
Exact Mass265.90
IUPAC Name4-bromo-2,6-dichlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C7H5BrCl2N2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H3,11,12)
InChIKeyCKAZXTOAFCMOJP-UHFFFAOYSA-N
XLogP3.04
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.94
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 4-bromo-2,6-dichlorobenzenecarboximidamide?
The IUPAC name of 4-bromo-2,6-dichlorobenzenecarboximidamide (CID 118348201) is 4-bromo-2,6-dichlorobenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2,6-dichlorobenzenecarboximidamide?
The canonical SMILES for 4-bromo-2,6-dichlorobenzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichlorobenzenecarboximidamide?
The InChIKey is CKAZXTOAFCMOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2N2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H3,11,12).
What are the key properties of 4-bromo-2,6-dichlorobenzenecarboximidamide?
4-bromo-2,6-dichlorobenzenecarboximidamide has a molecular weight of 267.94 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichlorobenzenecarboximidamide is sourced from PubChem (CID 118348201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).