2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile

C17H14F3N3O — CID 66752292

IUPAC2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile
SMILESN#Cc1c(F)c(F)nc(OC(c2ccccc2)[C@H]2CCNC2)c1F
InChIInChI=1S/C17H14F3N3O/c18-13-12(8-21)14(19)17(23-16(13)20)24-15(11-6-7-22-9-11)10-4-2-1-3-5-10/h1-5,11,15,22H,6-7,9H2/t11-,15?/m0/s1
InChIKeyOGVMROLNKYFNPD-VPHXOMNUSA-N
MW333.31 g/mol
LogP3.10
Rot. Bonds4

About 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile

2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile (PubChem CID 66752292) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile
PubChem CID66752292
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile
SMILESN#Cc1c(F)c(F)nc(OC(c2ccccc2)[C@H]2CCNC2)c1F
InChIInChI=1S/C17H14F3N3O/c18-13-12(8-21)14(19)17(23-16(13)20)24-15(11-6-7-22-9-11)10-4-2-1-3-5-10/h1-5,11,15,22H,6-7,9H2/t11-,15?/m0/s1
InChIKeyOGVMROLNKYFNPD-VPHXOMNUSA-N
XLogP3.10
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile?
The IUPAC name of 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile (CID 66752292) is 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile?
The canonical SMILES for 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile is N#Cc1c(F)c(F)nc(OC(c2ccccc2)[C@H]2CCNC2)c1F.
What is the InChIKey of 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile?
The InChIKey is OGVMROLNKYFNPD-VPHXOMNUSA-N. The full InChI is InChI=1S/C17H14F3N3O/c18-13-12(8-21)14(19)17(23-16(13)20)24-15(11-6-7-22-9-11)10-4-2-1-3-5-10/h1-5,11,15,22H,6-7,9H2/t11-,15?/m0/s1.
What are the key properties of 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile?
2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile has a molecular weight of 333.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 66752292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).