4-Amino-2-fluoro-5-nitrobenzonitrile - CAS 143151-03-5

Catalog:	BB009500
Product Name:	4-Amino-2-fluoro-5-nitrobenzonitrile
CAS:	143151-03-5
Synonyms:	4-amino-2-fluoro-5-nitrobenzonitrile; 4-amino-2-fluoro-5-nitrobenzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	4-amino-2-fluoro-5-nitrobenzonitrile
Description:	4-Amino-2-fluoro-5-nitrobenzonitrile (CAS# 143151-03-5) is used in the preparation of radiofluorinated quinoxalinedione derivatives as putative ligands of the AMPA receptor.
Molecular Weight:	181.12
Molecular Formula:	C7H4FN3O2
Canonical SMILES:	C1=C(C(=CC(=C1[N+](=O)[O-])N)F)C#N
InChI:	InChI=1S/C7H4FN3O2/c8-5-2-6(10)7(11(12)13)1-4(5)3-9/h1-2H,10H2
InChI Key:	XAHREBHCCFVAHU-UHFFFAOYSA-N
LogP:	2.29218

Publication Number	Title	Priority Date
WO-2020114499-A1	Tyrosine kinase inhibitors, compositions and methods there of	20181207
TW-202033526-A	Compounds used as tyrosine kinase inhibitors, pharmaceutical compositions containing them, and uses thereof	20181207
CA-3122136-A1	Tyrosine kinase inhibitors, compositions and methods there of	20181207
CN-113166156-A	Tyrosine kinase inhibitors, compositions and methods thereof	20181207
EP-3891152-A1	Tyrosine kinase inhibitors, compositions and methods there of	20181207

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Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.02875454
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.02875454
Rotatable Bond Count:	0
Topological Polar Surface Area:	95.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4