4-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide

C9H10BrFN2O — CID 90403473

IUPAC4-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide
SMILESN/C(=N\CCO)c1ccc(Br)cc1F
InChIInChI=1S/C9H10BrFN2O/c10-6-1-2-7(8(11)5-6)9(12)13-3-4-14/h1-2,5,14H,3-4H2,(H2,12,13)
InChIKeySNWHUDDRUXCWRZ-UHFFFAOYSA-N
MW261.09 g/mol
LogP1.29
Rot. Bonds3

About 4-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide

4-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide (PubChem CID 90403473) has the molecular formula C9H10BrFN2O and a molecular weight of 261.09 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide
PubChem CID90403473
Molecular FormulaC9H10BrFN2O
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC Name4-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide
SMILESN/C(=N\CCO)c1ccc(Br)cc1F
InChIInChI=1S/C9H10BrFN2O/c10-6-1-2-7(8(11)5-6)9(12)13-3-4-14/h1-2,5,14H,3-4H2,(H2,12,13)
InChIKeySNWHUDDRUXCWRZ-UHFFFAOYSA-N
XLogP1.29
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide?
The IUPAC name of 4-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide (CID 90403473) is 4-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide?
The canonical SMILES for 4-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide is N/C(=N\CCO)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide?
The InChIKey is SNWHUDDRUXCWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O/c10-6-1-2-7(8(11)5-6)9(12)13-3-4-14/h1-2,5,14H,3-4H2,(H2,12,13).
What are the key properties of 4-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide?
4-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide has a molecular weight of 261.09 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide is sourced from PubChem (CID 90403473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).