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6-amino-5-(benzenesulfonyl)-2-methoxypyridine-3-carbonitrile

6-amino-5-(benzenesulfonyl)-2-methoxypyridine-3-carbonitrile

CAS: 119672-31-0

Formula: C13H11N3O3S

SMILES: COC1=NC(N)=C(C=C1C#N)S(=O)(=O)C1=CC=CC=C1

IUPAC: 6-amino-5-(benzenesulfonyl)-2-methoxypyridine-3-carbonitrile

InChI: InChI=1S/C13H11N3O3S/c1-19-13-9(8-14)7-11(12(15)16-13)20(17,18)10-5-3-2-4-6-10/h2-7H,1H3,(H2,15,16)

Composition: C (53.97%), H (3.83%), N (14.52%), O (16.59%), S (11.08%)

Molar Mass: 289.31

Atom Count: 31

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 289.0521124
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey POFXOAUYEITUSF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.95
Topological Polar Surface Area 106.07
Polarizability 29.02
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 119672-31-0 $51.35-$524.40$51.35$63.37$86.31$524.40
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