6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile

C16H14ClN3O — CID 133406496

IUPAC6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Oc3cccc(Cl)c3)C2)nc1
InChIInChI=1S/C16H14ClN3O/c17-13-2-1-3-14(8-13)21-15-6-7-20(11-15)16-5-4-12(9-18)10-19-16/h1-5,8,10,15H,6-7,11H2
InChIKeyLLMMYELJZRENOP-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.26
Rot. Bonds3

About 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile

6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 133406496) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID133406496
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Oc3cccc(Cl)c3)C2)nc1
InChIInChI=1S/C16H14ClN3O/c17-13-2-1-3-14(8-13)21-15-6-7-20(11-15)16-5-4-12(9-18)10-19-16/h1-5,8,10,15H,6-7,11H2
InChIKeyLLMMYELJZRENOP-UHFFFAOYSA-N
XLogP3.26
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide
CID 133406389
6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 154778818
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406478
6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 171701989
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 133406433
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 133391014
2-[6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273596
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133462129
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133406355
5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine
CID 133406376
6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
CID 69354590
7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133406480

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 133406496) is 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(Oc3cccc(Cl)c3)C2)nc1.
What is the InChIKey of 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is LLMMYELJZRENOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-13-2-1-3-14(8-13)21-15-6-7-20(11-15)16-5-4-12(9-18)10-19-16/h1-5,8,10,15H,6-7,11H2.
What are the key properties of 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile?
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 299.76 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133406496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).