(3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol

C16H17FN2O2 — CID 129481949

IUPAC(3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1cccc([C@@H]2C[C@@H](O)CN2c2ncccc2F)c1
InChIInChI=1S/C16H17FN2O2/c1-21-13-5-2-4-11(8-13)15-9-12(20)10-19(15)16-14(17)6-3-7-18-16/h2-8,12,15,20H,9-10H2,1H3/t12-,15+/m1/s1
InChIKeyDMLZOEHIFKDMBM-DOMZBBRYSA-N
MW288.32 g/mol
LogP2.54
Rot. Bonds3

About (3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol

(3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol (PubChem CID 129481949) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is (3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
PubChem CID129481949
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name(3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1cccc([C@@H]2C[C@@H](O)CN2c2ncccc2F)c1
InChIInChI=1S/C16H17FN2O2/c1-21-13-5-2-4-11(8-13)15-9-12(20)10-19(15)16-14(17)6-3-7-18-16/h2-8,12,15,20H,9-10H2,1H3/t12-,15+/m1/s1
InChIKeyDMLZOEHIFKDMBM-DOMZBBRYSA-N
XLogP2.54
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]benzonitrile
CID 129481975
5-(3-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 128964251
5-(3-methoxyphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 128964886
(3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
CID 129482038
5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 129482001
(3R,5R)-1-(9-ethylpurin-6-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100727655
(3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129482017
2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 129448984
(3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol
CID 100736568
(3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481983
(3-fluoro-4-pyridinyl)-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481464
(3S,5R)-1-(2-ethyl-6-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100647139

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol (CID 129481949) is (3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol is COc1cccc([C@@H]2C[C@@H](O)CN2c2ncccc2F)c1.
What is the InChIKey of (3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The InChIKey is DMLZOEHIFKDMBM-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-21-13-5-2-4-11(8-13)15-9-12(20)10-19(15)16-14(17)6-3-7-18-16/h2-8,12,15,20H,9-10H2,1H3/t12-,15+/m1/s1.
What are the key properties of (3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
(3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol has a molecular weight of 288.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 129481949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).