3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile

C18H16ClN3O — CID 133413405

IUPAC3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCOC3(CCc4ccccc43)C2)ccc1Cl
InChIInChI=1S/C18H16ClN3O/c19-15-5-6-17(21-16(15)11-20)22-9-10-23-18(12-22)8-7-13-3-1-2-4-14(13)18/h1-6H,7-10,12H2
InChIKeyWFKDUNNWYNAGTJ-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.28
Rot. Bonds1

About 3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile

3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile (PubChem CID 133413405) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile
PubChem CID133413405
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCOC3(CCc4ccccc43)C2)ccc1Cl
InChIInChI=1S/C18H16ClN3O/c19-15-5-6-17(21-16(15)11-20)22-9-10-23-18(12-22)8-7-13-3-1-2-4-14(13)18/h1-6H,7-10,12H2
InChIKeyWFKDUNNWYNAGTJ-UHFFFAOYSA-N
XLogP3.28
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile (CID 133413405) is 3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile is N#Cc1nc(N2CCOC3(CCc4ccccc43)C2)ccc1Cl.
What is the InChIKey of 3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile?
The InChIKey is WFKDUNNWYNAGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-15-5-6-17(21-16(15)11-20)22-9-10-23-18(12-22)8-7-13-3-1-2-4-14(13)18/h1-6H,7-10,12H2.
What are the key properties of 3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile?
3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile has a molecular weight of 325.80 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-2-carbonitrile is sourced from PubChem (CID 133413405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).