5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid

C11H6FNO2S — CID 82389520

IUPAC5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c3c(F)cccc3c2s1
InChIInChI=1S/C11H6FNO2S/c12-6-3-1-2-5-9(6)13-7-4-8(11(14)15)16-10(5)7/h1-4,13H,(H,14,15)
InChIKeyAMYRPTZYKYIANQ-UHFFFAOYSA-N
MW235.24 g/mol
LogP3.22
Rot. Bonds1

About 5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid

5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid (PubChem CID 82389520) has the molecular formula C11H6FNO2S and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid
PubChem CID82389520
Molecular FormulaC11H6FNO2S
Molecular Weight235.24 g/mol
Exact Mass235.01
IUPAC Name5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c3c(F)cccc3c2s1
InChIInChI=1S/C11H6FNO2S/c12-6-3-1-2-5-9(6)13-7-4-8(11(14)15)16-10(5)7/h1-4,13H,(H,14,15)
InChIKeyAMYRPTZYKYIANQ-UHFFFAOYSA-N
XLogP3.22
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid?
The IUPAC name of 5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid (CID 82389520) is 5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid?
The canonical SMILES for 5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid is O=C(O)c1cc2[nH]c3c(F)cccc3c2s1.
What is the InChIKey of 5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid?
The InChIKey is AMYRPTZYKYIANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FNO2S/c12-6-3-1-2-5-9(6)13-7-4-8(11(14)15)16-10(5)7/h1-4,13H,(H,14,15).
What are the key properties of 5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid?
5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4H-thieno[3,2-b]indole-2-carboxylic acid is sourced from PubChem (CID 82389520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).