2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine

C22H20Cl2N2O — CID 71716486

IUPAC2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine
SMILESClc1cc(Cl)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(-c2ccccn2)c1
InChIInChI=1S/C22H20Cl2N2O/c23-17-12-18(20-8-4-5-10-26-20)22(19(24)13-17)27-21(16-9-11-25-14-16)15-6-2-1-3-7-15/h1-8,10,12-13,16,21,25H,9,11,14H2/t16-,21-/m0/s1
InChIKeyQQMFCCASOIUAMW-KKSFZXQISA-N
MW399.32 g/mol
LogP5.78
Rot. Bonds5

About 2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine

2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine (PubChem CID 71716486) has the molecular formula C22H20Cl2N2O and a molecular weight of 399.32 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine.

Molecular Properties

Compound Name2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine
PubChem CID71716486
Molecular FormulaC22H20Cl2N2O
Molecular Weight399.32 g/mol
Exact Mass398.10
IUPAC Name2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine
SMILESClc1cc(Cl)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(-c2ccccn2)c1
InChIInChI=1S/C22H20Cl2N2O/c23-17-12-18(20-8-4-5-10-26-20)22(19(24)13-17)27-21(16-9-11-25-14-16)15-6-2-1-3-7-15/h1-8,10,12-13,16,21,25H,9,11,14H2/t16-,21-/m0/s1
InChIKeyQQMFCCASOIUAMW-KKSFZXQISA-N
XLogP5.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine?
The IUPAC name of 2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine (CID 71716486) is 2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine.
What is the SMILES notation for 2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine?
The canonical SMILES for 2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine is Clc1cc(Cl)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(-c2ccccn2)c1.
What is the InChIKey of 2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine?
The InChIKey is QQMFCCASOIUAMW-KKSFZXQISA-N. The full InChI is InChI=1S/C22H20Cl2N2O/c23-17-12-18(20-8-4-5-10-26-20)22(19(24)13-17)27-21(16-9-11-25-14-16)15-6-2-1-3-7-15/h1-8,10,12-13,16,21,25H,9,11,14H2/t16-,21-/m0/s1.
What are the key properties of 2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine?
2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine has a molecular weight of 399.32 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine is sourced from PubChem (CID 71716486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).