Milrinone

C₁₂H₉N₃OCAS 78415-72-2211.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₉N₃O
Molar mass: 211.22 g/mol
Exact mass: 211.0746 Da
Melting point: above 300 °C
logP: 2.03Crippen estimate
Polar surface area: 69.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled38.4% of notifiers
H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin94.5% of notifiers
H331 Toxic if inhaled93.2% of notifiers

Aggregated from 73 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

78415-72-2

SMILES

Cc1nc(O)c(C#N)cc1-c1ccncc1

InChIKey

PZRHRDRVRGEVNW-UHFFFAOYSA-N

InChI

InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

[3,4′-Bipyridine]-5-carbonitrile, 1,6-dihydro-2-methyl-6-oxo-
1,6-Dihydro-2-methyl-6-oxo[3,4′-bipyridine]-5-carbonitrile
Win 47203
Corotrope
Primacor IV
Corotrop
Milrila
Primacor
2-Hydroxy-6-methyl-5-(pyridin-4-yl)pyridine-3-carbonitrile

Work with Milrinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Milrinone lactate100286-97-3Salt

Similar compounds

Olprinone106730-54-560 % similar 1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile4241-27-449 % similar 6-Fluoro-2-methyl-3-pyridinecarbonitrile375368-85-739 % similar 2-Methylpyridine-3-carbonitrile1721-23-937 % similar 3-Cyano-2-pyridone20577-27-937 % similar 4-Methyl-3-pyridinecarbonitrile5444-01-937 % similar 3-Cyano-4,6-dimethyl-2-hydroxypyridine769-28-837 % similar 6-Amino-2-methylnicotinonitrile183428-90-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-(2,2-Dicyanoethenyl)phenyl)acetamide26088-79-9 5,11-Dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one885-70-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook