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

C16H17FN2O — CID 66752141

IUPAC2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
SMILESFc1ncccc1OC(c1ccccc1)[C@@H]1CCNC1
InChIInChI=1S/C16H17FN2O/c17-16-14(7-4-9-19-16)20-15(13-8-10-18-11-13)12-5-2-1-3-6-12/h1-7,9,13,15,18H,8,10-11H2/t13-,15?/m1/s1
InChIKeyIUHLOQHVCCCYPK-AFYYWNPRSA-N
MW272.32 g/mol
LogP2.95
Rot. Bonds4

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

2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine (PubChem CID 66752141) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
PubChem CID66752141
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
SMILESFc1ncccc1OC(c1ccccc1)[C@@H]1CCNC1
InChIInChI=1S/C16H17FN2O/c17-16-14(7-4-9-19-16)20-15(13-8-10-18-11-13)12-5-2-1-3-6-12/h1-7,9,13,15,18H,8,10-11H2/t13-,15?/m1/s1
InChIKeyIUHLOQHVCCCYPK-AFYYWNPRSA-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine (CID 66752141) is 2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine is Fc1ncccc1OC(c1ccccc1)[C@@H]1CCNC1.
What is the InChIKey of 2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine?
The InChIKey is IUHLOQHVCCCYPK-AFYYWNPRSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-16-14(7-4-9-19-16)20-15(13-8-10-18-11-13)12-5-2-1-3-6-12/h1-7,9,13,15,18H,8,10-11H2/t13-,15?/m1/s1.
What are the key properties of 2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine?
2-fluoro-3-[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-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 66752141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).