Milrinone Impurity 2

CAT: 1299-RM-M121828-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-M121828-02Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

717818-05-8

Synonyms

2-amino-5-cyano-6-hydroxynicotinamide

Molecular Formula

C7H6N4O2

Molecular Weight

178.15

Target Alternative Name

Milrinone

Product Name Synonym

2-amino-5-cyano-6-hydroxynicotinamide

Chemical Information

2-Amino-5-cyano-6-oxo-1,6-dihydropyridine-3-carboxamide

CAS Number	717818-05-8
PubChem CID	129935080
IUPAC Name	2-amino-5-cyano-6-oxo-1H-pyridine-3-carboxamide
Molecular Formula	C7H6N4O2
Molecular Weight	178.15
XLogP	-1.2
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	396

SMILES

C1=C(C(=O)NC(=C1C(=O)N)N)C#N

InChI

InChI=1S/C7H6N4O2/c8-2-3-1-4(6(10)12)5(9)11-7(3)13/h1H,(H2,10,12)(H3,9,11,13)

InChIKey

BRHZQXJMEWERPR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 717818-05-8

CID: 129935080

Formula: C7H6N4O2

MW: 178.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.15
XLogP3	-1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	178.04907545
Monoisotopic Mass	178.04907545
Topological Polar Surface Area	122 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	396
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes