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2-Amino-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-3,5-pyridinedicarbonitrile

HCID 1474099
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
338410-24-5
Standard SMILES
N#Cc1cc(C#N)c(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc1N
InChIKey
DZXCIQCFHYFYRT-UHFFFAOYSA-N
Molecular formula
C17H13ClF3N7
Average molar mass
407.787 g/mol
Monoisotopic mass
407.08730576

Names & identifiers

Preferred name
2-Amino-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-3,5-pyridinedicarbonitrile
IUPAC
2-Amino-6-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}pyridine-3,5-dicarbonitrile
English name
2-Amino-6-(4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino)-3,5-pyridinedicarbonitrile
Molecular formula
C17H13ClF3N7
Molecular weight
407.78

Names & synonyms

2-Amino-6-(4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino)-3,5-pyridinedicarbonitrile2-amino-6-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}pyridine-3,5-dicarbonitrile3,5-Pyridinedicarbonitrile, 2-amino-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-

Database identifiers

CAS
338410-24-5
PubChem CID
1474099
DTXSID
DTXSID301116154

Properties

Physicochemical properties

Boiling point
614 · 614.0±55.0 °C(Predicted)
Density
1.56 · 1.56±0.1 g/cm3(Predicted)
pka
3.71 · 3.71±0.39(Predicted)

Chemistry & industry

Suppliers5 total

Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]

Related reactions

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Compound notes

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