3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine

C16H16Cl2N2O — CID 66754036

IUPAC3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
SMILESClc1cccc(Cl)c1O[C@@H](c1cccnc1)[C@H]1CCNC1
InChIInChI=1S/C16H16Cl2N2O/c17-13-4-1-5-14(18)16(13)21-15(12-6-8-20-10-12)11-3-2-7-19-9-11/h1-5,7,9,12,15,20H,6,8,10H2/t12-,15-/m0/s1
InChIKeyYBSROIISTJMGIG-WFASDCNBSA-N
MW323.22 g/mol
LogP4.12
Rot. Bonds4

About 3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine

3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine (PubChem CID 66754036) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
PubChem CID66754036
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
SMILESClc1cccc(Cl)c1O[C@@H](c1cccnc1)[C@H]1CCNC1
InChIInChI=1S/C16H16Cl2N2O/c17-13-4-1-5-14(18)16(13)21-15(12-6-8-20-10-12)11-3-2-7-19-9-11/h1-5,7,9,12,15,20H,6,8,10H2/t12-,15-/m0/s1
InChIKeyYBSROIISTJMGIG-WFASDCNBSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
The IUPAC name of 3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine (CID 66754036) is 3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine.
What is the SMILES notation for 3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
The canonical SMILES for 3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine is Clc1cccc(Cl)c1O[C@@H](c1cccnc1)[C@H]1CCNC1.
What is the InChIKey of 3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
The InChIKey is YBSROIISTJMGIG-WFASDCNBSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c17-13-4-1-5-14(18)16(13)21-15(12-6-8-20-10-12)11-3-2-7-19-9-11/h1-5,7,9,12,15,20H,6,8,10H2/t12-,15-/m0/s1.
What are the key properties of 3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine?
3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine has a molecular weight of 323.22 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine is sourced from PubChem (CID 66754036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).