1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid

C14H13NO4 — CID 67476038

IUPAC1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn([C@@H](CO)c2ccccc2)c1=O
InChIInChI=1S/C14H13NO4/c16-9-12(10-5-2-1-3-6-10)15-8-4-7-11(13(15)17)14(18)19/h1-8,12,16H,9H2,(H,18,19)/t12-/m0/s1
InChIKeyZYEUJAIRZAEGLH-LBPRGKRZSA-N
MW259.26 g/mol
LogP1.13
Rot. Bonds4

About 1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid

1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 67476038) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid
PubChem CID67476038
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn([C@@H](CO)c2ccccc2)c1=O
InChIInChI=1S/C14H13NO4/c16-9-12(10-5-2-1-3-6-10)15-8-4-7-11(13(15)17)14(18)19/h1-8,12,16H,9H2,(H,18,19)/t12-/m0/s1
InChIKeyZYEUJAIRZAEGLH-LBPRGKRZSA-N
XLogP1.13
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid (CID 67476038) is 1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn([C@@H](CO)c2ccccc2)c1=O.
What is the InChIKey of 1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is ZYEUJAIRZAEGLH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13NO4/c16-9-12(10-5-2-1-3-6-10)15-8-4-7-11(13(15)17)14(18)19/h1-8,12,16H,9H2,(H,18,19)/t12-/m0/s1.
What are the key properties of 1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid?
1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-hydroxy-1-phenylethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 67476038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).