Milrinone Impurity D

CAT: 1299-RM-M121804-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M121804-02Size:25 mg

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CAS Number

1443528-66-2

Synonyms

Methyl 2-methyl-6-oxo-1,6-dihydro-[3,4'-bipyridine]-5-carboxylate

Molecular Formula

C13H12N2O3

Molecular Weight

244.25

Target Alternative Name

Milrinone

Product Name Synonym

Methyl 2-methyl-6-oxo-1,6-dihydro-[3,4'-bipyridine]-5-carboxylate

Chemical Information

Milrinone Impurity D

CAS Number	1443528-66-2
PubChem CID	20553782
IUPAC Name	methyl 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylate
Molecular Formula	C13H12N2O3
Molecular Weight	244.25
XLogP	0.1
Topological Polar Surface Area	68.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	432

SMILES

CC1=C(C=C(C(=O)N1)C(=O)OC)C2=CC=NC=C2

InChI

InChI=1S/C13H12N2O3/c1-8-10(9-3-5-14-6-4-9)7-11(12(16)15-8)13(17)18-2/h3-7H,1-2H3,(H,15,16)

InChIKey

TURKYLMVGLRMEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1443528-66-2

CID: 20553782

Formula: C13H12N2O3

MW: 244.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.25
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	244.08479225
Monoisotopic Mass	244.08479225
Topological Polar Surface Area	68.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	432
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