2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid

C10H7FO2S — CID 130839072

IUPAC2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid
SMILESCc1cc2sc(F)cc2cc1C(=O)O
InChIInChI=1S/C10H7FO2S/c1-5-2-8-6(4-9(11)14-8)3-7(5)10(12)13/h2-4H,1H3,(H,12,13)
InChIKeyXOYWFKMNNMBXRK-UHFFFAOYSA-N
MW210.23 g/mol
LogP3.05
Rot. Bonds1

About 2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid

2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid (PubChem CID 130839072) has the molecular formula C10H7FO2S and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid
PubChem CID130839072
Molecular FormulaC10H7FO2S
Molecular Weight210.23 g/mol
Exact Mass210.02
IUPAC Name2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid
SMILESCc1cc2sc(F)cc2cc1C(=O)O
InChIInChI=1S/C10H7FO2S/c1-5-2-8-6(4-9(11)14-8)3-7(5)10(12)13/h2-4H,1H3,(H,12,13)
InChIKeyXOYWFKMNNMBXRK-UHFFFAOYSA-N
XLogP3.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-6-methyl-1-benzothiophene-5-carboxylic acid
CID 131196595
5-bromo-2-fluoro-6-methyl-1-benzothiophene
CID 131075792
CID 162313209
CID 162313209
6-chloro-2-fluoro-1-benzothiophene-4-carboxylic acid
CID 130969858
5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid
CID 130816675
2,6-difluoro-5-methylpyridine-3-carboxylic acid
CID 21303212
4-carbamoyl-2,5-dimethylbenzoic acid
CID 165441285
5-fluoro-4-methoxy-2-methylbenzoic acid
CID 84769291
4-cyano-5-fluoro-2-methylbenzoic acid
CID 130980145
5-iodo-2,4-dimethylbenzoic acid
CID 23091875
5,12,17,18-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11-dicarboxylic acid
CID 163726690
8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride
CID 119031045

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid?
The IUPAC name of 2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid (CID 130839072) is 2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid.
What is the SMILES notation for 2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid?
The canonical SMILES for 2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid is Cc1cc2sc(F)cc2cc1C(=O)O.
What is the InChIKey of 2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid?
The InChIKey is XOYWFKMNNMBXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO2S/c1-5-2-8-6(4-9(11)14-8)3-7(5)10(12)13/h2-4H,1H3,(H,12,13).
What are the key properties of 2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid?
2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid is sourced from PubChem (CID 130839072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).