2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine

C16H15F3N2O — CID 66753077

IUPAC2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
SMILESFc1cc(F)c(OC(c2ccccc2)[C@H]2CCNC2)nc1F
InChIInChI=1S/C16H15F3N2O/c17-12-8-13(18)16(21-15(12)19)22-14(11-6-7-20-9-11)10-4-2-1-3-5-10/h1-5,8,11,14,20H,6-7,9H2/t11-,14?/m0/s1
InChIKeyOBNIWEGCIDZILD-ZSOXZCCMSA-N
MW308.30 g/mol
LogP3.23
Rot. Bonds4

About 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine

2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine (PubChem CID 66753077) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
PubChem CID66753077
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
SMILESFc1cc(F)c(OC(c2ccccc2)[C@H]2CCNC2)nc1F
InChIInChI=1S/C16H15F3N2O/c17-12-8-13(18)16(21-15(12)19)22-14(11-6-7-20-9-11)10-4-2-1-3-5-10/h1-5,8,11,14,20H,6-7,9H2/t11-,14?/m0/s1
InChIKeyOBNIWEGCIDZILD-ZSOXZCCMSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.23
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

2,3,5-trifluoro-6-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 46946622
3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752545
2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile
CID 66752292
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
(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 66924540
3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 75057732
2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752580
2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752141
3,5-dibromo-2-methyl-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752922
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

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The IUPAC name of 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine (CID 66753077) is 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine is Fc1cc(F)c(OC(c2ccccc2)[C@H]2CCNC2)nc1F.
What is the InChIKey of 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
The InChIKey is OBNIWEGCIDZILD-ZSOXZCCMSA-N. The full InChI is InChI=1S/C16H15F3N2O/c17-12-8-13(18)16(21-15(12)19)22-14(11-6-7-20-9-11)10-4-2-1-3-5-10/h1-5,8,11,14,20H,6-7,9H2/t11-,14?/m0/s1.
What are the key properties of 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine?
2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine has a molecular weight of 308.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 66753077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).