3-chloro-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

HCID 930294

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Basic information

CAS: 836632-47-4
Standard SMILES: CC(C)c1nc(Cl)c(C#N)c2c1CCC2
InChIKey: JIWAAPORCIUBBF-UHFFFAOYSA-N
Molecular formula: C12H13ClN2
Average molar mass: 220.7 g/mol
Monoisotopic mass: 220.0767261

Names & identifiers

Preferred name: 3-chloro-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
IUPAC: 3-chloro-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

Names & synonyms

3-chloro-1-(propan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile3-chloro-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile836632-47-4MLS000769552CHEMBL1711539DTXSID301321058HMS2798J19STK721596AKOS005530432SMR0004342843-Chloro-1-isopropyl-6,7-dihydro-5H-[2]pyrindine-4-carbonitrile3-chloro-1-isopropyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

Database identifiers

CAS: 836632-47-4
PubChem CID: 930294
DTXSID: DTXSID301321058
ChEMBL: CHEMBL1711539

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 281

Experimental & physicochemical properties

Solubility4.3 [ug/mL] (The mean of the results at pH 7.4)

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