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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Related Compounds

6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid
CID 11370785
5-[5-(7-propyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]thiophene-2-carboxylic acid
CID 44294373
3-[(2-methyl-1H-indol-3-yl)sulfanyl]benzoic acid
CID 137638308
2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole-6-carboxylic acid
CID 155567504
methyl 5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylate
CID 11492603
2-[(Phenyl-sulfanyl)methyl]indole-3-carboxylic acid
CID 134158506
Methyl 4h-thieno[3,2-b]pyrrolecarboxylic
CID 141109652
1H-Indole-6-carboxylic acid, 3-cyclohexyl-2-(3-thienyl)-
CID 514260
4-[5-(5-fluoro-7-methyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid
CID 18709762
6-[[2-thiophen-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 50902168
6-cyclohexyl-5-(4-fluorophenyl)-4H-thieno[3,2-b]pyrrole-2-carboxylic acid
CID 57571408
6-cyclohexyl-5-(3-fluorophenyl)-4H-thieno[3,2-b]pyrrole-2-carboxylic acid
CID 57571417

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).