2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol

C17H19FN2O2 — CID 175337425

IUPAC2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol
SMILESOCCc1ccccc1N1CC[C@H](Oc2ncccc2F)C1
InChIInChI=1S/C17H19FN2O2/c18-15-5-3-9-19-17(15)22-14-7-10-20(12-14)16-6-2-1-4-13(16)8-11-21/h1-6,9,14,21H,7-8,10-12H2/t14-/m0/s1
InChIKeyHGKONUBSESTUHF-AWEZNQCLSA-N
MW302.35 g/mol
LogP2.41
Rot. Bonds5

About 2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol

2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol (PubChem CID 175337425) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol
PubChem CID175337425
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol
SMILESOCCc1ccccc1N1CC[C@H](Oc2ncccc2F)C1
InChIInChI=1S/C17H19FN2O2/c18-15-5-3-9-19-17(15)22-14-7-10-20(12-14)16-6-2-1-4-13(16)8-11-21/h1-6,9,14,21H,7-8,10-12H2/t14-/m0/s1
InChIKeyHGKONUBSESTUHF-AWEZNQCLSA-N
XLogP2.41
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanol
CID 156814816
2-[5-bromo-2-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol
CID 166004483
(2-chlorophenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanol
CID 156815660
2-[2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-(2-ethylphenyl)sulfanylphenyl]ethanol
CID 166004260
(2-chlorophenyl)-[3-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-4-(2-hydroxyethyl)phenyl]methanone
CID 156815577
4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide
CID 166683343
2-[2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-[hydroxy-(4-methylphenyl)methyl]phenyl]ethanol
CID 156815413
2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine
CID 139001706
2-cyclopentyloxy-3-fluoropyridine
CID 126955068
[5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
CID 170313388
[3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol
CID 175337447
methyl 4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)benzoate
CID 156814660

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol?
The IUPAC name of 2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol (CID 175337425) is 2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol?
The canonical SMILES for 2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol is OCCc1ccccc1N1CC[C@H](Oc2ncccc2F)C1.
What is the InChIKey of 2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol?
The InChIKey is HGKONUBSESTUHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-15-5-3-9-19-17(15)22-14-7-10-20(12-14)16-6-2-1-4-13(16)8-11-21/h1-6,9,14,21H,7-8,10-12H2/t14-/m0/s1.
What are the key properties of 2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol?
2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol has a molecular weight of 302.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 175337425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).