4-(7-fluoroindol-1-yl)-4-oxobutanoic acid

C12H10FNO3 — CID 83971079

IUPAC4-(7-fluoroindol-1-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)n1ccc2cccc(F)c21
InChIInChI=1S/C12H10FNO3/c13-9-3-1-2-8-6-7-14(12(8)9)10(15)4-5-11(16)17/h1-3,6-7H,4-5H2,(H,16,17)
InChIKeyAKRUTMCEYYPDJJ-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.29
Rot. Bonds3

About 4-(7-fluoroindol-1-yl)-4-oxobutanoic acid

4-(7-fluoroindol-1-yl)-4-oxobutanoic acid (PubChem CID 83971079) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 4-(7-fluoroindol-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(7-fluoroindol-1-yl)-4-oxobutanoic acid
PubChem CID83971079
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name4-(7-fluoroindol-1-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)n1ccc2cccc(F)c21
InChIInChI=1S/C12H10FNO3/c13-9-3-1-2-8-6-7-14(12(8)9)10(15)4-5-11(16)17/h1-3,6-7H,4-5H2,(H,16,17)
InChIKeyAKRUTMCEYYPDJJ-UHFFFAOYSA-N
XLogP2.29
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(7-fluoroindol-1-yl)-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(7-methoxyindol-1-yl)-4-oxobutanoic acid
CID 83971073
2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone
CID 162388933
4-(5-fluoroindol-1-yl)-4-oxobutanoic acid
CID 2782734
4-oxo-4-(5-phenylindol-1-yl)butanoic acid
CID 83971063
7-fluoroindol-1-amine
CID 96636191
4-[(4-indol-1-yl-4-oxobutanoyl)amino]butanoic acid
CID 84556637
9-fluoroimidazo[1,2-a]quinoline-2-carboxylic acid
CID 115037584
4-indol-1-yl-4-oxobutanamide
CID 84553197
4-indol-1-yl-N-methyl-4-oxobutanamide
CID 84556822
2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid
CID 83842401
butanedioic acid;2-fluorobenzonitrile
CID 162076408
3-(2-fluorophenyl)propanoic acid
CID 2063866

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoroindol-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(7-fluoroindol-1-yl)-4-oxobutanoic acid (CID 83971079) is 4-(7-fluoroindol-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(7-fluoroindol-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(7-fluoroindol-1-yl)-4-oxobutanoic acid is O=C(O)CCC(=O)n1ccc2cccc(F)c21.
What is the InChIKey of 4-(7-fluoroindol-1-yl)-4-oxobutanoic acid?
The InChIKey is AKRUTMCEYYPDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c13-9-3-1-2-8-6-7-14(12(8)9)10(15)4-5-11(16)17/h1-3,6-7H,4-5H2,(H,16,17).
What are the key properties of 4-(7-fluoroindol-1-yl)-4-oxobutanoic acid?
4-(7-fluoroindol-1-yl)-4-oxobutanoic acid has a molecular weight of 235.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoroindol-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 83971079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).