4-bromo-2-chlorobenzenecarboximidamide

C7H6BrClN2 — CID 53418052

IUPAC4-bromo-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1Cl
InChIInChI=1S/C7H6BrClN2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H3,10,11)
InChIKeyDWTNSBXAMQKMPP-UHFFFAOYSA-N
MW233.50 g/mol
LogP2.39
Rot. Bonds1

About 4-bromo-2-chlorobenzenecarboximidamide

4-bromo-2-chlorobenzenecarboximidamide (PubChem CID 53418052) has the molecular formula C7H6BrClN2 and a molecular weight of 233.50 g/mol. Its IUPAC name is 4-bromo-2-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-chlorobenzenecarboximidamide
PubChem CID53418052
Molecular FormulaC7H6BrClN2
Molecular Weight233.50 g/mol
Exact Mass231.94
IUPAC Name4-bromo-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1Cl
InChIInChI=1S/C7H6BrClN2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H3,10,11)
InChIKeyDWTNSBXAMQKMPP-UHFFFAOYSA-N
XLogP2.39
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.50
LogP ≤ 52.39
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-chlorobenzenecarboximidamide?
The IUPAC name of 4-bromo-2-chlorobenzenecarboximidamide (CID 53418052) is 4-bromo-2-chlorobenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-chlorobenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chlorobenzenecarboximidamide?
The InChIKey is DWTNSBXAMQKMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H3,10,11).
What are the key properties of 4-bromo-2-chlorobenzenecarboximidamide?
4-bromo-2-chlorobenzenecarboximidamide has a molecular weight of 233.50 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chlorobenzenecarboximidamide is sourced from PubChem (CID 53418052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).