2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine

C16H16Cl2N2O — CID 87135499

IUPAC2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
SMILESClc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(Cl)n1
InChIInChI=1S/C16H16Cl2N2O/c17-14-7-6-13(16(18)20-14)21-15(12-8-9-19-10-12)11-4-2-1-3-5-11/h1-7,12,15,19H,8-10H2/t12-,15-/m0/s1
InChIKeyIUUWZKXECBTCRH-WFASDCNBSA-N
MW323.22 g/mol
LogP4.12
Rot. Bonds4

About 2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine

2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine (PubChem CID 87135499) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
PubChem CID87135499
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
SMILESClc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(Cl)n1
InChIInChI=1S/C16H16Cl2N2O/c17-14-7-6-13(16(18)20-14)21-15(12-8-9-19-10-12)11-4-2-1-3-5-11/h1-7,12,15,19H,8-10H2/t12-,15-/m0/s1
InChIKeyIUUWZKXECBTCRH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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
(3R)-3-[(S)-phenyl-(2,3,5-trichlorophenoxy)methyl]pyrrolidine
CID 71562715
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562371
(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 66924540
2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752141
3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752545
3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66753028
3,5-dichloro-2-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752614
2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 66752187
2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752580
2,3,5-trifluoro-6-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 46946622

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The IUPAC name of 2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine (CID 87135499) is 2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine is Clc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(Cl)n1.
What is the InChIKey of 2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The InChIKey is IUUWZKXECBTCRH-WFASDCNBSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c17-14-7-6-13(16(18)20-14)21-15(12-8-9-19-10-12)11-4-2-1-3-5-11/h1-7,12,15,19H,8-10H2/t12-,15-/m0/s1.
What are the key properties of 2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]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 2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 87135499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).