3-bromo-4-fluorobenzenecarboximidamide

C7H6BrFN2 — CID 53407759

IUPAC3-bromo-4-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(F)c(Br)c1
InChIInChI=1S/C7H6BrFN2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H3,10,11)
InChIKeyCYYYJGDZDDWEGS-UHFFFAOYSA-N
MW217.04 g/mol
LogP1.87
Rot. Bonds1

About 3-bromo-4-fluorobenzenecarboximidamide

3-bromo-4-fluorobenzenecarboximidamide (PubChem CID 53407759) has the molecular formula C7H6BrFN2 and a molecular weight of 217.04 g/mol. Its IUPAC name is 3-bromo-4-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-fluorobenzenecarboximidamide
PubChem CID53407759
Molecular FormulaC7H6BrFN2
Molecular Weight217.04 g/mol
Exact Mass215.97
IUPAC Name3-bromo-4-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(F)c(Br)c1
InChIInChI=1S/C7H6BrFN2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H3,10,11)
InChIKeyCYYYJGDZDDWEGS-UHFFFAOYSA-N
XLogP1.87
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.04
LogP ≤ 51.87
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 3-bromo-4-fluorobenzenecarboximidamide?
The IUPAC name of 3-bromo-4-fluorobenzenecarboximidamide (CID 53407759) is 3-bromo-4-fluorobenzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-fluorobenzenecarboximidamide?
The canonical SMILES for 3-bromo-4-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluorobenzenecarboximidamide?
The InChIKey is CYYYJGDZDDWEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H3,10,11).
What are the key properties of 3-bromo-4-fluorobenzenecarboximidamide?
3-bromo-4-fluorobenzenecarboximidamide has a molecular weight of 217.04 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluorobenzenecarboximidamide is sourced from PubChem (CID 53407759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).