2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide

C13H9BrFN3O3 — CID 81495763

IUPAC2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H9BrFN3O3/c14-9-2-1-3-10(18(19)20)12(9)21-11-5-4-7(15)6-8(11)13(16)17/h1-6H,(H3,16,17)
InChIKeyYDAWUWYUKGFOMN-UHFFFAOYSA-N
MW354.14 g/mol
LogP3.57
Rot. Bonds4

About 2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide

2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide (PubChem CID 81495763) has the molecular formula C13H9BrFN3O3 and a molecular weight of 354.14 g/mol. Its IUPAC name is 2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide
PubChem CID81495763
Molecular FormulaC13H9BrFN3O3
Molecular Weight354.14 g/mol
Exact Mass352.98
IUPAC Name2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H9BrFN3O3/c14-9-2-1-3-10(18(19)20)12(9)21-11-5-4-7(15)6-8(11)13(16)17/h1-6H,(H3,16,17)
InChIKeyYDAWUWYUKGFOMN-UHFFFAOYSA-N
XLogP3.57
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.14
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide
CID 81495765
2-(3-bromo-5-nitrophenoxy)-5-fluorobenzenecarboximidamide
CID 103588737
1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 81495787
(1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol
CID 81495973
2-(3-bromophenoxy)-5-fluorobenzenecarboximidamide
CID 63668840
4-fluoro-2-nitrobenzenecarboximidamide
CID 53404311
4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide
CID 114904941
2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551192
2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide
CID 107658452
2-(2-bromo-4-fluorophenoxy)-1-methyl-3-nitrobenzene
CID 115551202
2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide
CID 81332304
2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene
CID 9112165

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide (CID 81495763) is 2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1Oc1c(Br)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide?
The InChIKey is YDAWUWYUKGFOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O3/c14-9-2-1-3-10(18(19)20)12(9)21-11-5-4-7(15)6-8(11)13(16)17/h1-6H,(H3,16,17).
What are the key properties of 2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide?
2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide has a molecular weight of 354.14 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 81495763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).