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

C16H14F2N2O3 — CID 128990162

IUPAC[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESO=C(c1cncc(O)c1)N1CC(O)CC1c1cc(F)ccc1F
InChIInChI=1S/C16H14F2N2O3/c17-10-1-2-14(18)13(4-10)15-5-12(22)8-20(15)16(23)9-3-11(21)7-19-6-9/h1-4,6-7,12,15,21-22H,5,8H2
InChIKeyRZVORUIEZAARKD-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.01
Rot. Bonds2

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

[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone (PubChem CID 128990162) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
PubChem CID128990162
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESO=C(c1cncc(O)c1)N1CC(O)CC1c1cc(F)ccc1F
InChIInChI=1S/C16H14F2N2O3/c17-10-1-2-14(18)13(4-10)15-5-12(22)8-20(15)16(23)9-3-11(21)7-19-6-9/h1-4,6-7,12,15,21-22H,5,8H2
InChIKeyRZVORUIEZAARKD-UHFFFAOYSA-N
XLogP2.01
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
The IUPAC name of [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone (CID 128990162) is [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone.
What is the SMILES notation for [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
The canonical SMILES for [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone is O=C(c1cncc(O)c1)N1CC(O)CC1c1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
The InChIKey is RZVORUIEZAARKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c17-10-1-2-14(18)13(4-10)15-5-12(22)8-20(15)16(23)9-3-11(21)7-19-6-9/h1-4,6-7,12,15,21-22H,5,8H2.
What are the key properties of [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone has a molecular weight of 320.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone is sourced from PubChem (CID 128990162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).