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

C16H13FN2O4 — CID 118951448

IUPAC5-ethyl-6-(5-fluoro-1H-indol-6-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2cc3[nH]ccc3cc2F)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C16H13FN2O4/c1-2-8-13(19-15(21)12(14(8)20)16(22)23)9-6-11-7(3-4-18-11)5-10(9)17/h3-6,18H,2H2,1H3,(H,22,23)(H2,19,20,21)
InChIKeyHGPDBQXOTULTMU-UHFFFAOYSA-N
MW316.29 g/mol
LogP2.63
Rot. Bonds3

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

5-ethyl-6-(5-fluoro-1H-indol-6-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118951448) has the molecular formula C16H13FN2O4 and a molecular weight of 316.29 g/mol. Its IUPAC name is 5-ethyl-6-(5-fluoro-1H-indol-6-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-(5-fluoro-1H-indol-6-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID118951448
Molecular FormulaC16H13FN2O4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name5-ethyl-6-(5-fluoro-1H-indol-6-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2cc3[nH]ccc3cc2F)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C16H13FN2O4/c1-2-8-13(19-15(21)12(14(8)20)16(22)23)9-6-11-7(3-4-18-11)5-10(9)17/h3-6,18H,2H2,1H3,(H,22,23)(H2,19,20,21)
InChIKeyHGPDBQXOTULTMU-UHFFFAOYSA-N
XLogP2.63
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-hydroxy-2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyridine-3-carboxylic acid
CID 71284551
5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284465
5-ethyl-4-hydroxy-6-(1H-indazol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284840
4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284807
5-ethyl-4-hydroxy-6-(6-methoxy-1H-indol-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284577
6-[2-(aminomethyl)-1H-indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 118951311
5-ethyl-4-hydroxy-6-[2-[1-(methylamino)ethyl]-1H-indol-6-yl]-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 118951710
6-[4-(diethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281794
5-ethyl-4-hydroxy-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 158113496
5-ethyl-4-hydroxy-6-imidazo[1,2-a]pyridin-2-yl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284093
5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 118951207
5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117367183

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(5-fluoro-1H-indol-6-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-(5-fluoro-1H-indol-6-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 118951448) is 5-ethyl-6-(5-fluoro-1H-indol-6-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-(5-fluoro-1H-indol-6-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-(5-fluoro-1H-indol-6-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2cc3[nH]ccc3cc2F)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 5-ethyl-6-(5-fluoro-1H-indol-6-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is HGPDBQXOTULTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4/c1-2-8-13(19-15(21)12(14(8)20)16(22)23)9-6-11-7(3-4-18-11)5-10(9)17/h3-6,18H,2H2,1H3,(H,22,23)(H2,19,20,21).
What are the key properties of 5-ethyl-6-(5-fluoro-1H-indol-6-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-6-(5-fluoro-1H-indol-6-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 316.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(5-fluoro-1H-indol-6-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118951448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).