Name: Name:2-OXO-6-PHENYL-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
Brand: Angene
SKU: AG00D9UL
Rating: 90 (10 reviews)

2-OXO-6-PHENYL-1,2-DIHYDRO-3-PYRIDINECARBONITRILE

CAS No.:

43083-13-2

Catalog Number:

AG00D9UL

Molecular Formula:

C12H8N2O

Molecular Weight:

196.2047

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Product Description

Catalog Number:

AG00D9UL

Chemical Name:

2-OXO-6-PHENYL-1,2-DIHYDRO-3-PYRIDINECARBONITRILE

CAS Number:

43083-13-2

Molecular Formula:

C12H8N2O

Molecular Weight:

196.2047

MDL Number:

MFCD00202791

IUPAC Name:

2-oxo-6-phenyl-1H-pyridine-3-carbonitrile

InChI:

InChI=1S/C12H8N2O/c13-8-10-6-7-11(14-12(10)15)9-4-2-1-3-5-9/h1-7H,(H,14,15)

InChI Key:

KTUZHAVCKLQHCN-UHFFFAOYSA-N

SMILES:

N#Cc1ccc([nH]c1=O)c1ccccc1

NSC Number:

91858

Properties

Complexity:

378

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.209g/mol

Monoisotopic Mass:

196.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

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

Properties