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

C17H19ClN2O — CID 59544002

IUPAC5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
SMILESCc1cc(Cl)cnc1O[C@@H](c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C17H19ClN2O/c1-12-9-15(18)11-20-17(12)21-16(14-7-8-19-10-14)13-5-3-2-4-6-13/h2-6,9,11,14,16,19H,7-8,10H2,1H3/t14-,16-/m0/s1
InChIKeyLDJDFXPAFYLSMS-HOCLYGCPSA-N
MW302.81 g/mol
LogP3.77
Rot. Bonds4

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

5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine (PubChem CID 59544002) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
PubChem CID59544002
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
SMILESCc1cc(Cl)cnc1O[C@@H](c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C17H19ClN2O/c1-12-9-15(18)11-20-17(12)21-16(14-7-8-19-10-14)13-5-3-2-4-6-13/h2-6,9,11,14,16,19H,7-8,10H2,1H3/t14-,16-/m0/s1
InChIKeyLDJDFXPAFYLSMS-HOCLYGCPSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752614
3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66753028
5-bromo-3-methyl-2-[phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 77226165
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562371
2-methyl-5-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752347
3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752922
3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine
CID 76807736
2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 66752187
3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 75057732
2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 87135446
3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 66752698
5-bromo-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752109

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The IUPAC name of 5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine (CID 59544002) is 5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The canonical SMILES for 5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine is Cc1cc(Cl)cnc1O[C@@H](c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of 5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The InChIKey is LDJDFXPAFYLSMS-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-9-15(18)11-20-17(12)21-16(14-7-8-19-10-14)13-5-3-2-4-6-13/h2-6,9,11,14,16,19H,7-8,10H2,1H3/t14-,16-/m0/s1.
What are the key properties of 5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine has a molecular weight of 302.81 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 59544002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).