2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide

C8H7F2N3O2 — CID 79768181

IUPAC2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide
SMILESC/N=C(\N)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C8H7F2N3O2/c1-12-8(11)6-4(9)2-3-5(7(6)10)13(14)15/h2-3H,1H3,(H2,11,12)
InChIKeyUHBUCGUQOCJCSR-UHFFFAOYSA-N
MW215.16 g/mol
LogP1.21
Rot. Bonds2

About 2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide

2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide (PubChem CID 79768181) has the molecular formula C8H7F2N3O2 and a molecular weight of 215.16 g/mol. Its IUPAC name is 2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide.

Molecular Properties

Compound Name2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide
PubChem CID79768181
Molecular FormulaC8H7F2N3O2
Molecular Weight215.16 g/mol
Exact Mass215.05
IUPAC Name2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide
SMILESC/N=C(\N)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C8H7F2N3O2/c1-12-8(11)6-4(9)2-3-5(7(6)10)13(14)15/h2-3H,1H3,(H2,11,12)
InChIKeyUHBUCGUQOCJCSR-UHFFFAOYSA-N
XLogP1.21
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 79755848
2,6-difluoro-3-nitrobenzamide
CID 2780101
[(2,6-difluoro-3-nitrobenzoyl)amino]urea
CID 79772861
1-(2,6-difluoro-3-nitrophenyl)ethanimine
CID 118580071
2,6-difluoro-3-nitrobenzoyl isocyanate
CID 23038946
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2,6-difluoro-3-nitrobenzamide
CID 106096207
N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide
CID 103740689
1-(2,6-difluoro-3-nitrophenyl)-2-methylsulfanylethanone
CID 79773473
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,6-difluoro-3-nitrobenzamide
CID 103740040
3-(2,6-difluoro-3-nitrophenyl)-3-oxopropanoic acid
CID 170887010
(2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 79773761
N-ethyl-2,6-difluoro-3-nitro-N-propylbenzamide
CID 113252601

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide?
The IUPAC name of 2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide (CID 79768181) is 2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide.
What is the SMILES notation for 2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide?
The canonical SMILES for 2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide is C/N=C(\N)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of 2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide?
The InChIKey is UHBUCGUQOCJCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O2/c1-12-8(11)6-4(9)2-3-5(7(6)10)13(14)15/h2-3H,1H3,(H2,11,12).
What are the key properties of 2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide?
2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide has a molecular weight of 215.16 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide is sourced from PubChem (CID 79768181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).