(3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol

C15H14ClFN2O — CID 129480740

IUPAC(3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ccncc2Cl)C1
InChIInChI=1S/C15H14ClFN2O/c16-13-8-18-5-4-14(13)19-9-12(20)7-15(19)10-2-1-3-11(17)6-10/h1-6,8,12,15,20H,7,9H2/t12-,15+/m1/s1
InChIKeyYCFSTFXNGUBPCY-DOMZBBRYSA-N
MW292.74 g/mol
LogP3.19
Rot. Bonds2

About (3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol

(3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol (PubChem CID 129480740) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is (3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol
PubChem CID129480740
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name(3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ccncc2Cl)C1
InChIInChI=1S/C15H14ClFN2O/c16-13-8-18-5-4-14(13)19-9-12(20)7-15(19)10-2-1-3-11(17)6-10/h1-6,8,12,15,20H,7,9H2/t12-,15+/m1/s1
InChIKeyYCFSTFXNGUBPCY-DOMZBBRYSA-N
XLogP3.19
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol (CID 129480740) is (3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol is O[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ccncc2Cl)C1.
What is the InChIKey of (3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol?
The InChIKey is YCFSTFXNGUBPCY-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-13-8-18-5-4-14(13)19-9-12(20)7-15(19)10-2-1-3-11(17)6-10/h1-6,8,12,15,20H,7,9H2/t12-,15+/m1/s1.
What are the key properties of (3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol?
(3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol has a molecular weight of 292.74 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(3-chloro-4-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 129480740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).