4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid

C16H17NO4 — CID 90220464

IUPAC4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid
SMILESCC(C)Cc1[nH]c(=O)c(-c2ccccc2)c(O)c1C(=O)O
InChIInChI=1S/C16H17NO4/c1-9(2)8-11-13(16(20)21)14(18)12(15(19)17-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,20,21)(H2,17,18,19)
InChIKeyOHGRECHDBVRDAW-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.64
Rot. Bonds4

About 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid

4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid (PubChem CID 90220464) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid
PubChem CID90220464
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid
SMILESCC(C)Cc1[nH]c(=O)c(-c2ccccc2)c(O)c1C(=O)O
InChIInChI=1S/C16H17NO4/c1-9(2)8-11-13(16(20)21)14(18)12(15(19)17-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,20,21)(H2,17,18,19)
InChIKeyOHGRECHDBVRDAW-UHFFFAOYSA-N
XLogP2.64
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid (CID 90220464) is 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid is CC(C)Cc1[nH]c(=O)c(-c2ccccc2)c(O)c1C(=O)O.
What is the InChIKey of 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid?
The InChIKey is OHGRECHDBVRDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-9(2)8-11-13(16(20)21)14(18)12(15(19)17-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,20,21)(H2,17,18,19).
What are the key properties of 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid?
4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 90220464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).