1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one

C14H14FNO3 — CID 170560129

IUPAC1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C[C@H](O)c1cccc(F)c1
InChIInChI=1S/C14H14FNO3/c1-9-14(19)12(17)5-6-16(9)8-13(18)10-3-2-4-11(15)7-10/h2-7,13,18-19H,8H2,1H3/t13-/m0/s1
InChIKeyOCGNVLKFRXWWKC-ZDUSSCGKSA-N
MW263.27 g/mol
LogP1.74
Rot. Bonds3

About 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one

1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one (PubChem CID 170560129) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one
PubChem CID170560129
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C[C@H](O)c1cccc(F)c1
InChIInChI=1S/C14H14FNO3/c1-9-14(19)12(17)5-6-16(9)8-13(18)10-3-2-4-11(15)7-10/h2-7,13,18-19H,8H2,1H3/t13-/m0/s1
InChIKeyOCGNVLKFRXWWKC-ZDUSSCGKSA-N
XLogP1.74
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one
CID 170560138
3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one
CID 170560087
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one
CID 19821577
4-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,4-diazepan-2-one
CID 124733003
1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one
CID 55153499
1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 97227082
6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
CID 94813590
3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one
CID 10821844
3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94385395
1-(3-aminopropyl)-3-hydroxy-2-methylpyridin-4-one
CID 11600788
2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 138003566

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one (CID 170560129) is 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1C[C@H](O)c1cccc(F)c1.
What is the InChIKey of 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is OCGNVLKFRXWWKC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-9-14(19)12(17)5-6-16(9)8-13(18)10-3-2-4-11(15)7-10/h2-7,13,18-19H,8H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one?
1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 263.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 170560129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).