(R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol

C17H18ClFN2O — CID 171782604

IUPAC(R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol
SMILESO[C@H](c1cncc(F)c1)[C@H]1CC[C@@H](Cc2ccc(Cl)cc2)N1
InChIInChI=1S/C17H18ClFN2O/c18-13-3-1-11(2-4-13)7-15-5-6-16(21-15)17(22)12-8-14(19)10-20-9-12/h1-4,8-10,15-17,21-22H,5-7H2/t15-,16+,17+/m0/s1
InChIKeyLLELWWCGROJPBA-GVDBMIGSSA-N
MW320.80 g/mol
LogP3.27
Rot. Bonds4

About (R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol

(R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol (PubChem CID 171782604) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is (R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol
PubChem CID171782604
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name(R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol
SMILESO[C@H](c1cncc(F)c1)[C@H]1CC[C@@H](Cc2ccc(Cl)cc2)N1
InChIInChI=1S/C17H18ClFN2O/c18-13-3-1-11(2-4-13)7-15-5-6-16(21-15)17(22)12-8-14(19)10-20-9-12/h1-4,8-10,15-17,21-22H,5-7H2/t15-,16+,17+/m0/s1
InChIKeyLLELWWCGROJPBA-GVDBMIGSSA-N
XLogP3.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(5-fluoro-3-pyridinyl)-[(2R,5R)-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol;dihydrochloride
CID 171782598
(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 138473395
(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
CID 138473458
[(2R)-5-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 146634848
(S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride
CID 155127632
2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 54967680
(5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol
CID 114097414
(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol
CID 170314593
N-[(3-fluoro-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide
CID 50996053
(1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol
CID 115336470
(6R)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxamide
CID 70792360
[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 50997467

Frequently Asked Questions

What is the IUPAC name of (R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol?
The IUPAC name of (R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol (CID 171782604) is (R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for (R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol?
The canonical SMILES for (R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol is O[C@H](c1cncc(F)c1)[C@H]1CC[C@@H](Cc2ccc(Cl)cc2)N1.
What is the InChIKey of (R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol?
The InChIKey is LLELWWCGROJPBA-GVDBMIGSSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c18-13-3-1-11(2-4-13)7-15-5-6-16(21-15)17(22)12-8-14(19)10-20-9-12/h1-4,8-10,15-17,21-22H,5-7H2/t15-,16+,17+/m0/s1.
What are the key properties of (R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol?
(R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol has a molecular weight of 320.80 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2R,5S)-5-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-(5-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 171782604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).