Name: Name:1-butyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
Brand: Angene
SKU: AG01AAGW
Rating: 90 (10 reviews)

1-butyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

CAS No.:

1087634-93-2

Catalog Number:

AG01AAGW

Molecular Formula:

C17H15FN2O3

Molecular Weight:

314.3110

Catalog Number:

AG01AAGW

Chemical Name:

1-butyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

CAS Number:

1087634-93-2

Molecular Formula:

C17H15FN2O3

Molecular Weight:

314.3110

MDL Number:

MFCD10649405

IUPAC Name:

1-butyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile

InChI:

InChI=1S/C17H15FN2O3/c1-2-3-6-20-10-12(7-11(9-19)17(20)23)16(22)14-8-13(18)4-5-15(14)21/h4-5,7-8,10,21H,2-3,6H2,1H3

InChI Key:

VWEGHMBCOBQAGY-UHFFFAOYSA-N

SMILES:

CCCCn1cc(cc(c1=O)C#N)C(=O)c1cc(F)ccc1O

Complexity:

602

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.107g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.316g/mol

Monoisotopic Mass:

314.107g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9