[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone

C16H14F2N2O2 — CID 100670910

IUPAC[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H14F2N2O2/c17-11-3-1-10(2-4-11)15-7-12(21)9-20(15)16(22)13-5-6-19-8-14(13)18/h1-6,8,12,15,21H,7,9H2/t12-,15-/m1/s1
InChIKeyUDJNWZZIEHSLCV-IUODEOHRSA-N
MW304.30 g/mol
LogP2.31
Rot. Bonds2

About [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone

[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone (PubChem CID 100670910) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
PubChem CID100670910
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H14F2N2O2/c17-11-3-1-10(2-4-11)15-7-12(21)9-20(15)16(22)13-5-6-19-8-14(13)18/h1-6,8,12,15,21H,7,9H2/t12-,15-/m1/s1
InChIKeyUDJNWZZIEHSLCV-IUODEOHRSA-N
XLogP2.31
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-pyridinyl)-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129352274
[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 129372607
[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 129372606
(3-fluoro-4-pyridinyl)-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481464
(3-chloro-4-pyridinyl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129481674
(1,3-dimethylpyrazol-4-yl)-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100670652
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-4-yl)methanone
CID 100671336
4-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide
CID 129352211
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 129352200
(6-fluoro-1H-benzimidazol-4-yl)-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129352241
[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 129345875
[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 128989989

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone (CID 100670910) is [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone is O=C(c1ccncc1F)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is UDJNWZZIEHSLCV-IUODEOHRSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c17-11-3-1-10(2-4-11)15-7-12(21)9-20(15)16(22)13-5-6-19-8-14(13)18/h1-6,8,12,15,21H,7,9H2/t12-,15-/m1/s1.
What are the key properties of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 304.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 100670910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).