6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

C16H13FN2O4 — CID 71285127

IUPAC6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc2[nH]c(-c3[nH]c(=O)c(C(=O)O)c(O)c3C)cc2cc1F
InChIInChI=1S/C16H13FN2O4/c1-6-3-10-8(4-9(6)17)5-11(18-10)13-7(2)14(20)12(16(22)23)15(21)19-13/h3-5,18H,1-2H3,(H,22,23)(H2,19,20,21)
InChIKeyRNSVZZFAYJXQOD-UHFFFAOYSA-N
MW316.29 g/mol
LogP2.68
Rot. Bonds2

About 6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71285127) has the molecular formula C16H13FN2O4 and a molecular weight of 316.29 g/mol. Its IUPAC name is 6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71285127
Molecular FormulaC16H13FN2O4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc2[nH]c(-c3[nH]c(=O)c(C(=O)O)c(O)c3C)cc2cc1F
InChIInChI=1S/C16H13FN2O4/c1-6-3-10-8(4-9(6)17)5-11(18-10)13-7(2)14(20)12(16(22)23)15(21)19-13/h3-5,18H,1-2H3,(H,22,23)(H2,19,20,21)
InChIKeyRNSVZZFAYJXQOD-UHFFFAOYSA-N
XLogP2.68
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 71285127) is 6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is Cc1cc2[nH]c(-c3[nH]c(=O)c(C(=O)O)c(O)c3C)cc2cc1F.
What is the InChIKey of 6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is RNSVZZFAYJXQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4/c1-6-3-10-8(4-9(6)17)5-11(18-10)13-7(2)14(20)12(16(22)23)15(21)19-13/h3-5,18H,1-2H3,(H,22,23)(H2,19,20,21).
What are the key properties of 6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 316.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-6-methyl-1H-indol-2-yl)-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71285127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).