5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid

C14H10FNO3S — CID 103925960

IUPAC5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCc3ccc(F)cc32)s1
InChIInChI=1S/C14H10FNO3S/c15-9-2-1-8-5-6-16(10(8)7-9)13(17)11-3-4-12(20-11)14(18)19/h1-4,7H,5-6H2,(H,18,19)
InChIKeyNNNYZLFPIUBVHX-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.79
Rot. Bonds2

About 5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid

5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid (PubChem CID 103925960) has the molecular formula C14H10FNO3S and a molecular weight of 291.30 g/mol. Its IUPAC name is 5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid
PubChem CID103925960
Molecular FormulaC14H10FNO3S
Molecular Weight291.30 g/mol
Exact Mass291.04
IUPAC Name5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCc3ccc(F)cc32)s1
InChIInChI=1S/C14H10FNO3S/c15-9-2-1-8-5-6-16(10(8)7-9)13(17)11-3-4-12(20-11)14(18)19/h1-4,7H,5-6H2,(H,18,19)
InChIKeyNNNYZLFPIUBVHX-UHFFFAOYSA-N
XLogP2.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid (CID 103925960) is 5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCc3ccc(F)cc32)s1.
What is the InChIKey of 5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid?
The InChIKey is NNNYZLFPIUBVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3S/c15-9-2-1-8-5-6-16(10(8)7-9)13(17)11-3-4-12(20-11)14(18)19/h1-4,7H,5-6H2,(H,18,19).
What are the key properties of 5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid?
5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 103925960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).