Name: Name:5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Brand: Angene
SKU: AG019J8Y
Rating: 90 (10 reviews)

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

CAS No.:

750599-07-6

Catalog Number:

AG019J8Y

Molecular Formula:

C14H9FN2O3

Molecular Weight:

272.2313

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Product Description

Catalog Number:

AG019J8Y

Chemical Name:

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

CAS Number:

750599-07-6

Molecular Formula:

C14H9FN2O3

Molecular Weight:

272.2313

MDL Number:

MFCD06335046

IUPAC Name:

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

InChI:

InChI=1S/C14H9FN2O3/c1-17-7-9(4-8(6-16)14(17)20)13(19)11-5-10(15)2-3-12(11)18/h2-5,7,18H,1H3

InChI Key:

SGTSCHIAZHARNC-UHFFFAOYSA-N

SMILES:

N#Cc1cc(cn(c1=O)C)C(=O)c1cc(F)ccc1O

Properties

Complexity:

558

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

272.06g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

272.235g/mol

Monoisotopic Mass:

272.06g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101