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

C16H17FN2O — CID 66752580

IUPAC2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
SMILESFc1cccc(O[C@H](c2ccccc2)[C@@H]2CCNC2)n1
InChIInChI=1S/C16H17FN2O/c17-14-7-4-8-15(19-14)20-16(13-9-10-18-11-13)12-5-2-1-3-6-12/h1-8,13,16,18H,9-11H2/t13-,16-/m1/s1
InChIKeyCKFFGQFNBXFJNF-CZUORRHYSA-N
MW272.32 g/mol
LogP2.95
Rot. Bonds4

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

2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine (PubChem CID 66752580) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
PubChem CID66752580
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
SMILESFc1cccc(O[C@H](c2ccccc2)[C@@H]2CCNC2)n1
InChIInChI=1S/C16H17FN2O/c17-14-7-4-8-15(19-14)20-16(13-9-10-18-11-13)12-5-2-1-3-6-12/h1-8,13,16,18H,9-11H2/t13-,16-/m1/s1
InChIKeyCKFFGQFNBXFJNF-CZUORRHYSA-N
XLogP2.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.95
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

2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 66752187
2-fluoro-5-[phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 66752597
2,3,5-trifluoro-6-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 46946622
2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66753077
2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 87135446
(3S)-3-[phenyl-(2,4,6-trifluorophenoxy)methyl]pyrrolidine
CID 66924710
5-bromo-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752109
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
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562371
(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 66924540
3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 75057732

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine (CID 66752580) is 2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine is Fc1cccc(O[C@H](c2ccccc2)[C@@H]2CCNC2)n1.
What is the InChIKey of 2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine?
The InChIKey is CKFFGQFNBXFJNF-CZUORRHYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-14-7-4-8-15(19-14)20-16(13-9-10-18-11-13)12-5-2-1-3-6-12/h1-8,13,16,18H,9-11H2/t13-,16-/m1/s1.
What are the key properties of 2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine?
2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine has a molecular weight of 272.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 66752580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).