2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile

C13H7F4N3 — CID 107643342

IUPAC2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile
SMILESN#Cc1cc(Nc2c(F)c(F)cc(F)c2F)ccc1N
InChIInChI=1S/C13H7F4N3/c14-8-4-9(15)12(17)13(11(8)16)20-7-1-2-10(19)6(3-7)5-18/h1-4,20H,19H2
InChIKeyGHMCZINODZYBMR-UHFFFAOYSA-N
MW281.21 g/mol
LogP3.44
Rot. Bonds2

About 2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile

2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile (PubChem CID 107643342) has the molecular formula C13H7F4N3 and a molecular weight of 281.21 g/mol. Its IUPAC name is 2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile.

Molecular Properties

Compound Name2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile
PubChem CID107643342
Molecular FormulaC13H7F4N3
Molecular Weight281.21 g/mol
Exact Mass281.06
IUPAC Name2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile
SMILESN#Cc1cc(Nc2c(F)c(F)cc(F)c2F)ccc1N
InChIInChI=1S/C13H7F4N3/c14-8-4-9(15)12(17)13(11(8)16)20-7-1-2-10(19)6(3-7)5-18/h1-4,20H,19H2
InChIKeyGHMCZINODZYBMR-UHFFFAOYSA-N
XLogP3.44
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(4-amino-3-cyanoanilino)benzonitrile
CID 162352092
2-amino-5-(4-bromo-3-fluoroanilino)benzonitrile
CID 115499569
2-amino-5-(3,5-dichloro-4-fluoroanilino)benzonitrile
CID 107571548
2-amino-5-(4-bromo-2,6-dimethylanilino)benzonitrile
CID 115499574
2-amino-5-(2-aminoethylamino)benzonitrile
CID 115499405
3-(2,3,5,6-tetrafluoroanilino)benzonitrile
CID 107644811
4-(4,6-diamino-3-chloro-2-fluoroanilino)benzene-1,2-dicarbonitrile
CID 107787150
2-amino-5-(2-bromo-4-fluoroanilino)benzonitrile
CID 115499059
2-amino-5-(3-methylanilino)benzonitrile
CID 113323826
2-amino-5-(4-bromo-2-cyanoanilino)benzonitrile
CID 82702495
2-amino-5-fluorobenzonitrile
CID 2737704
5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile
CID 107644805

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile?
The IUPAC name of 2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile (CID 107643342) is 2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile.
What is the SMILES notation for 2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile?
The canonical SMILES for 2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile is N#Cc1cc(Nc2c(F)c(F)cc(F)c2F)ccc1N.
What is the InChIKey of 2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile?
The InChIKey is GHMCZINODZYBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4N3/c14-8-4-9(15)12(17)13(11(8)16)20-7-1-2-10(19)6(3-7)5-18/h1-4,20H,19H2.
What are the key properties of 2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile?
2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile has a molecular weight of 281.21 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile is sourced from PubChem (CID 107643342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).