1-ethyl-6-fluoroindole-4-carboxylic acid

C11H10FNO2 — CID 175074591

IUPAC1-ethyl-6-fluoroindole-4-carboxylic acid
SMILESCCn1ccc2c(C(=O)O)cc(F)cc21
InChIInChI=1S/C11H10FNO2/c1-2-13-4-3-8-9(11(14)15)5-7(12)6-10(8)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyLBTIMIXABVUHBN-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.50
Rot. Bonds2

About 1-ethyl-6-fluoroindole-4-carboxylic acid

1-ethyl-6-fluoroindole-4-carboxylic acid (PubChem CID 175074591) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-ethyl-6-fluoroindole-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-fluoroindole-4-carboxylic acid
PubChem CID175074591
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name1-ethyl-6-fluoroindole-4-carboxylic acid
SMILESCCn1ccc2c(C(=O)O)cc(F)cc21
InChIInChI=1S/C11H10FNO2/c1-2-13-4-3-8-9(11(14)15)5-7(12)6-10(8)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyLBTIMIXABVUHBN-UHFFFAOYSA-N
XLogP2.50
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-6-fluoroindole-4-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

Related Compounds

1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid
CID 10682892
1-ethyl-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
CID 157397914
1-ethyl-5-methylindole-7-carboxylic acid
CID 83946023
2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid
CID 115073448
1-benzyl-6-fluoroindole-3-carboxylic acid
CID 23073198
1-(cyclopropylmethyl)-6-fluoroindole-3-carboxylic acid
CID 23073204
1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid
CID 174792503
1-ethyl-7-fluoro-6-iodo-4-oxoquinoline-3-carboxylic acid
CID 68795840
ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate
CID 115073283
1-(2,2,3,3,3-pentafluoropropyl)indole-4-carboxylic acid
CID 121494134
6-ethyl-1-propan-2-ylindole-4-carboxylic acid
CID 123691818
5-(2,4-difluorophenyl)-1-ethylindole-3-carboxylic acid
CID 172654774

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoroindole-4-carboxylic acid?
The IUPAC name of 1-ethyl-6-fluoroindole-4-carboxylic acid (CID 175074591) is 1-ethyl-6-fluoroindole-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-fluoroindole-4-carboxylic acid?
The canonical SMILES for 1-ethyl-6-fluoroindole-4-carboxylic acid is CCn1ccc2c(C(=O)O)cc(F)cc21.
What is the InChIKey of 1-ethyl-6-fluoroindole-4-carboxylic acid?
The InChIKey is LBTIMIXABVUHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-2-13-4-3-8-9(11(14)15)5-7(12)6-10(8)13/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-6-fluoroindole-4-carboxylic acid?
1-ethyl-6-fluoroindole-4-carboxylic acid has a molecular weight of 207.20 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoroindole-4-carboxylic acid is sourced from PubChem (CID 175074591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).