5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one

C16H14F2N2O3 — CID 129352246

IUPAC5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2O3/c17-12-3-1-9(5-13(12)18)14-6-11(21)8-20(14)16(23)10-2-4-15(22)19-7-10/h1-5,7,11,14,21H,6,8H2,(H,19,22)/t11-,14-/m0/s1
InChIKeyIQFGZZNIISKMBB-FZMZJTMJSA-N
MW320.30 g/mol
LogP1.60
Rot. Bonds2

About 5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one

5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 129352246) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is 5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID129352246
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2O3/c17-12-3-1-9(5-13(12)18)14-6-11(21)8-20(14)16(23)10-2-4-15(22)19-7-10/h1-5,7,11,14,21H,6,8H2,(H,19,22)/t11-,14-/m0/s1
InChIKeyIQFGZZNIISKMBB-FZMZJTMJSA-N
XLogP1.60
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 128964172
5-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129398034
4-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 100675776
[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 129346697
3-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 129351513
5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 122136984
5-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 100670755
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone
CID 128560592
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 128985677
[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-[4-(dimethylamino)-2-pyridinyl]methanone
CID 129346643
1-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 129348408
1-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 129348407

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 129352246) is 5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of 5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is IQFGZZNIISKMBB-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c17-12-3-1-9(5-13(12)18)14-6-11(21)8-20(14)16(23)10-2-4-15(22)19-7-10/h1-5,7,11,14,21H,6,8H2,(H,19,22)/t11-,14-/m0/s1.
What are the key properties of 5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 320.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 129352246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).