4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine

C17H19FN2 — CID 3058152

IUPAC4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine
SMILESCC1(C)N[C@@H](c2ccc(F)cc2)C[C@H]1c1ccncc1
InChIInChI=1S/C17H19FN2/c1-17(2)15(12-7-9-19-10-8-12)11-16(20-17)13-3-5-14(18)6-4-13/h3-10,15-16,20H,11H2,1-2H3/t15-,16+/m0/s1
InChIKeyMXJYEJOANSESMT-JKSUJKDBSA-N
MW270.35 g/mol
LogP3.82
Rot. Bonds2

About 4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine

4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine (PubChem CID 3058152) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine.

Molecular Properties

Compound Name4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine
PubChem CID3058152
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine
SMILESCC1(C)N[C@@H](c2ccc(F)cc2)C[C@H]1c1ccncc1
InChIInChI=1S/C17H19FN2/c1-17(2)15(12-7-9-19-10-8-12)11-16(20-17)13-3-5-14(18)6-4-13/h3-10,15-16,20H,11H2,1-2H3/t15-,16+/m0/s1
InChIKeyMXJYEJOANSESMT-JKSUJKDBSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine?
The IUPAC name of 4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine (CID 3058152) is 4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine.
What is the SMILES notation for 4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine?
The canonical SMILES for 4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine is CC1(C)N[C@@H](c2ccc(F)cc2)C[C@H]1c1ccncc1.
What is the InChIKey of 4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine?
The InChIKey is MXJYEJOANSESMT-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H19FN2/c1-17(2)15(12-7-9-19-10-8-12)11-16(20-17)13-3-5-14(18)6-4-13/h3-10,15-16,20H,11H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of 4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine?
4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine has a molecular weight of 270.35 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine is sourced from PubChem (CID 3058152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).