(3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol

C13H17FN2O — CID 164634493

IUPAC(3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol
SMILESC[C@H]1CN(c2ccncc2F)C[C@]1(O)C1CC1
InChIInChI=1S/C13H17FN2O/c1-9-7-16(8-13(9,17)10-2-3-10)12-4-5-15-6-11(12)14/h4-6,9-10,17H,2-3,7-8H2,1H3/t9-,13+/m0/s1
InChIKeyHARBJFMQPNIWHE-TVQRCGJNSA-N
MW236.29 g/mol
LogP1.82
Rot. Bonds2

About (3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol

(3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol (PubChem CID 164634493) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol
PubChem CID164634493
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol
SMILESC[C@H]1CN(c2ccncc2F)C[C@]1(O)C1CC1
InChIInChI=1S/C13H17FN2O/c1-9-7-16(8-13(9,17)10-2-3-10)12-4-5-15-6-11(12)14/h4-6,9-10,17H,2-3,7-8H2,1H3/t9-,13+/m0/s1
InChIKeyHARBJFMQPNIWHE-TVQRCGJNSA-N
XLogP1.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol (CID 164634493) is (3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol is C[C@H]1CN(c2ccncc2F)C[C@]1(O)C1CC1.
What is the InChIKey of (3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol?
The InChIKey is HARBJFMQPNIWHE-TVQRCGJNSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-7-16(8-13(9,17)10-2-3-10)12-4-5-15-6-11(12)14/h4-6,9-10,17H,2-3,7-8H2,1H3/t9-,13+/m0/s1.
What are the key properties of (3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol?
(3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol has a molecular weight of 236.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-cyclopropyl-1-(3-fluoro-4-pyridinyl)-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 164634493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).