1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone

C16H14FNO5 — CID 58360304

IUPAC1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone
SMILESO=C(Cc1cnc(C(=O)CO)c(O)c1CO)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO5/c17-11-3-1-9(2-4-11)13(21)5-10-6-18-15(14(22)8-20)16(23)12(10)7-19/h1-4,6,19-20,23H,5,7-8H2
InChIKeyJEVVFTRBOPGEFH-UHFFFAOYSA-N
MW319.29 g/mol
LogP1.02
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone

1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone (PubChem CID 58360304) has the molecular formula C16H14FNO5 and a molecular weight of 319.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone
PubChem CID58360304
Molecular FormulaC16H14FNO5
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone
SMILESO=C(Cc1cnc(C(=O)CO)c(O)c1CO)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO5/c17-11-3-1-9(2-4-11)13(21)5-10-6-18-15(14(22)8-20)16(23)12(10)7-19/h1-4,6,19-20,23H,5,7-8H2
InChIKeyJEVVFTRBOPGEFH-UHFFFAOYSA-N
XLogP1.02
TPSA107.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone (CID 58360304) is 1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone is O=C(Cc1cnc(C(=O)CO)c(O)c1CO)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone?
The InChIKey is JEVVFTRBOPGEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO5/c17-11-3-1-9(2-4-11)13(21)5-10-6-18-15(14(22)8-20)16(23)12(10)7-19/h1-4,6,19-20,23H,5,7-8H2.
What are the key properties of 1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone?
1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone has a molecular weight of 319.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 58360304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).