(1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide

C9H6FN5O3 — CID 6110450

IUPAC(1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide
SMILESN#C/C(=N\Nc1cc([N+](=O)[O-])ccc1F)C(N)=O
InChIInChI=1S/C9H6FN5O3/c10-6-2-1-5(15(17)18)3-7(6)13-14-8(4-11)9(12)16/h1-3,13H,(H2,12,16)/b14-8+
InChIKeyQBZYPVDJLHHJIK-RIYZIHGNSA-N
MW251.18 g/mol
LogP0.51
Rot. Bonds4

About (1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide

(1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide (PubChem CID 6110450) has the molecular formula C9H6FN5O3 and a molecular weight of 251.18 g/mol. Its IUPAC name is (1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name(1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide
PubChem CID6110450
Molecular FormulaC9H6FN5O3
Molecular Weight251.18 g/mol
Exact Mass251.05
IUPAC Name(1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide
SMILESN#C/C(=N\Nc1cc([N+](=O)[O-])ccc1F)C(N)=O
InChIInChI=1S/C9H6FN5O3/c10-6-2-1-5(15(17)18)3-7(6)13-14-8(4-11)9(12)16/h1-3,13H,(H2,12,16)/b14-8+
InChIKeyQBZYPVDJLHHJIK-RIYZIHGNSA-N
XLogP0.51
TPSA134.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z)-2-amino-N-(2-bromo-5-nitroanilino)-2-iminoethanimidoyl cyanide
CID 172931818
ethyl 2-cyano-2-[(2-methyl-5-nitrophenyl)hydrazinylidene]acetate
CID 568791
(1Z)-2-amino-N-(2-chloro-4-nitroanilino)-2-iminoethanimidoyl cyanide
CID 172931563
sodium;carbamothioic S-acid;(2-fluoro-5-nitrophenyl)carbamothioic S-acid;hydride
CID 173394716
2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
CID 2814561
(1Z)-2-amino-N-(2-carbamothioyl-4-nitroanilino)-2-iminoethanimidoyl cyanide
CID 172980313
methyl 2-[2-(dicyanomethylidene)hydrazinyl]-4-nitrobenzoate
CID 169339245
(1Z)-2-hydrazinyl-N-(3-nitroanilino)-2-oxoethanimidoyl cyanide
CID 6523367
(1Z)-2-amino-N-(2-bromoanilino)-2-oxoethanimidoyl cyanide
CID 122231732
ethyl (E)-2-cyano-3-(2-fluoro-5-nitroanilino)prop-2-enoate
CID 2781130
methyl 2-cyano-2-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]acetate
CID 23276013
methyl 2-(2-fluoro-5-nitroanilino)butanoate
CID 113292447

Frequently Asked Questions

What is the IUPAC name of (1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide?
The IUPAC name of (1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide (CID 6110450) is (1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide.
What is the SMILES notation for (1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide?
The canonical SMILES for (1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide is N#C/C(=N\Nc1cc([N+](=O)[O-])ccc1F)C(N)=O.
What is the InChIKey of (1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide?
The InChIKey is QBZYPVDJLHHJIK-RIYZIHGNSA-N. The full InChI is InChI=1S/C9H6FN5O3/c10-6-2-1-5(15(17)18)3-7(6)13-14-8(4-11)9(12)16/h1-3,13H,(H2,12,16)/b14-8+.
What are the key properties of (1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide?
(1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide has a molecular weight of 251.18 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-amino-N-(2-fluoro-5-nitroanilino)-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 6110450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).