2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide

C8H8BrFN2O — CID 83900141

IUPAC2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cc(Br)cc(F)c1O
InChIInChI=1S/C8H8BrFN2O/c9-5-1-4(2-7(11)12)8(13)6(10)3-5/h1,3,13H,2H2,(H3,11,12)
InChIKeyTXLIXLVZMCEYOO-UHFFFAOYSA-N
MW247.07 g/mol
LogP1.77
Rot. Bonds2

About 2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide

2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide (PubChem CID 83900141) has the molecular formula C8H8BrFN2O and a molecular weight of 247.07 g/mol. Its IUPAC name is 2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide.

Molecular Properties

Compound Name2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide
PubChem CID83900141
Molecular FormulaC8H8BrFN2O
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC Name2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cc(Br)cc(F)c1O
InChIInChI=1S/C8H8BrFN2O/c9-5-1-4(2-7(11)12)8(13)6(10)3-5/h1,3,13H,2H2,(H3,11,12)
InChIKeyTXLIXLVZMCEYOO-UHFFFAOYSA-N
XLogP1.77
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 51.77
H-Bond Donors ≤ 53
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 2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide?
The IUPAC name of 2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide (CID 83900141) is 2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide.
What is the SMILES notation for 2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide?
The canonical SMILES for 2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide is [H]/N=C(\N)Cc1cc(Br)cc(F)c1O.
What is the InChIKey of 2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide?
The InChIKey is TXLIXLVZMCEYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O/c9-5-1-4(2-7(11)12)8(13)6(10)3-5/h1,3,13H,2H2,(H3,11,12).
What are the key properties of 2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide?
2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide has a molecular weight of 247.07 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide is sourced from PubChem (CID 83900141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).