2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile

C16H14ClN3O — CID 133406478

IUPAC2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(Oc2cccc(Cl)c2)C1
InChIInChI=1S/C16H14ClN3O/c17-13-4-1-5-14(9-13)21-15-6-8-20(11-15)16-12(10-18)3-2-7-19-16/h1-5,7,9,15H,6,8,11H2
InChIKeyPQCLALPLXDSIGN-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.26
Rot. Bonds3

About 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile

2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 133406478) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID133406478
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(Oc2cccc(Cl)c2)C1
InChIInChI=1S/C16H14ClN3O/c17-13-4-1-5-14(9-13)21-15-6-8-20(11-15)16-12(10-18)3-2-7-19-16/h1-5,7,9,15H,6,8,11H2
InChIKeyPQCLALPLXDSIGN-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]pyridine-3-carbonitrile
CID 133406496
5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine
CID 133406376
3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121108220
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417
2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 122136129
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133406355
[5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133406453
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 133406433
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 56877761
2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 163350288

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 133406478) is 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC(Oc2cccc(Cl)c2)C1.
What is the InChIKey of 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is PQCLALPLXDSIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-13-4-1-5-14(9-13)21-15-6-8-20(11-15)16-12(10-18)3-2-7-19-16/h1-5,7,9,15H,6,8,11H2.
What are the key properties of 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile?
2-[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 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133406478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).