2-[5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine

C23H23ClN2O — CID 71717705

IUPAC2-[5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine
SMILESCc1cc(Cl)cc(-c2ccccn2)c1O[C@@H](c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C23H23ClN2O/c1-16-13-19(24)14-20(21-9-5-6-11-26-21)22(16)27-23(18-10-12-25-15-18)17-7-3-2-4-8-17/h2-9,11,13-14,18,23,25H,10,12,15H2,1H3/t18-,23-/m0/s1
InChIKeyDNTVXLSMTRVFMZ-MBSDFSHPSA-N
MW378.90 g/mol
LogP5.44
Rot. Bonds5

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

2-[5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine (PubChem CID 71717705) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-[5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine.

Molecular Properties

Compound Name2-[5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine
PubChem CID71717705
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name2-[5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine
SMILESCc1cc(Cl)cc(-c2ccccn2)c1O[C@@H](c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C23H23ClN2O/c1-16-13-19(24)14-20(21-9-5-6-11-26-21)22(16)27-23(18-10-12-25-15-18)17-7-3-2-4-8-17/h2-9,11,13-14,18,23,25H,10,12,15H2,1H3/t18-,23-/m0/s1
InChIKeyDNTVXLSMTRVFMZ-MBSDFSHPSA-N
XLogP5.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine?
The IUPAC name of 2-[5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine (CID 71717705) is 2-[5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine.
What is the SMILES notation for 2-[5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine?
The canonical SMILES for 2-[5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine is Cc1cc(Cl)cc(-c2ccccn2)c1O[C@@H](c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of 2-[5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine?
The InChIKey is DNTVXLSMTRVFMZ-MBSDFSHPSA-N. The full InChI is InChI=1S/C23H23ClN2O/c1-16-13-19(24)14-20(21-9-5-6-11-26-21)22(16)27-23(18-10-12-25-15-18)17-7-3-2-4-8-17/h2-9,11,13-14,18,23,25H,10,12,15H2,1H3/t18-,23-/m0/s1.
What are the key properties of 2-[5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine?
2-[5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine has a molecular weight of 378.90 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine is sourced from PubChem (CID 71717705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).