[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone

C16H13F3N2O2 — CID 129372607

IUPAC[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C16H13F3N2O2/c17-9-1-2-13(18)12(5-9)15-6-10(22)8-21(15)16(23)11-3-4-20-7-14(11)19/h1-5,7,10,15,22H,6,8H2/t10-,15-/m1/s1
InChIKeyWKVRPCKCIDLYKH-MEBBXXQBSA-N
MW322.29 g/mol
LogP2.45
Rot. Bonds2

About [(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone

[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone (PubChem CID 129372607) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is [(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
PubChem CID129372607
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C16H13F3N2O2/c17-9-1-2-13(18)12(5-9)15-6-10(22)8-21(15)16(23)11-3-4-20-7-14(11)19/h1-5,7,10,15,22H,6,8H2/t10-,15-/m1/s1
InChIKeyWKVRPCKCIDLYKH-MEBBXXQBSA-N
XLogP2.45
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 129372606
[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 100670910
[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 128990162
[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129372613
(3-fluoro-4-pyridinyl)-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481464
[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 97140209
(3-chloro-4-pyridinyl)-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129352274
[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 128990266
1,3-benzodioxol-4-yl-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129372630
5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide
CID 100670288
4-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide
CID 128963862
(3-chloro-4-pyridinyl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129481674

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of [(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone (CID 129372607) is [(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for [(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for [(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone is O=C(c1ccncc1F)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of [(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is WKVRPCKCIDLYKH-MEBBXXQBSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-9-1-2-13(18)12(5-9)15-6-10(22)8-21(15)16(23)11-3-4-20-7-14(11)19/h1-5,7,10,15,22H,6,8H2/t10-,15-/m1/s1.
What are the key properties of [(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 322.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 129372607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).