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

C10H7FO2S — CID 121413599

IUPAC7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid
SMILESCc1ccc2cc(C(=O)O)sc2c1F
InChIInChI=1S/C10H7FO2S/c1-5-2-3-6-4-7(10(12)13)14-9(6)8(5)11/h2-4H,1H3,(H,12,13)
InChIKeyVUBYHHMWEWWXFE-UHFFFAOYSA-N
MW210.23 g/mol
LogP3.05
Rot. Bonds1

About 7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid

7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid (PubChem CID 121413599) has the molecular formula C10H7FO2S and a molecular weight of 210.23 g/mol. Its IUPAC name is 7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid
PubChem CID121413599
Molecular FormulaC10H7FO2S
Molecular Weight210.23 g/mol
Exact Mass210.02
IUPAC Name7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid
SMILESCc1ccc2cc(C(=O)O)sc2c1F
InChIInChI=1S/C10H7FO2S/c1-5-2-3-6-4-7(10(12)13)14-9(6)8(5)11/h2-4H,1H3,(H,12,13)
InChIKeyVUBYHHMWEWWXFE-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

6-chloro-7-fluoro-1-benzothiophene-2-carboxylic acid
CID 121427356
6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid
CID 67184797
6-methyl-1-benzothiophene-2-carboxylic acid
CID 12813850
ethyl 6-bromo-7-fluoro-1-benzothiophene-2-carboxylate
CID 142574206
7-iodo-1-benzothiophene-2-carboxylic acid
CID 22474186
5-fluoro-6-methylthieno[3,2-b]thiophene-2-carboxylic acid
CID 155769581
5-(3-fluoro-4-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 78973945
5,6-difluorothieno[3,2-b]thiophene-2-carboxylic acid
CID 155435323
7-chloro-5-methyl-1-benzothiophene-2-carboxylic acid
CID 118444652
7-bromothieno[2,3-c]pyridine-2-carboxylic acid
CID 121231814
7-methoxy-5-methyl-1-benzothiophene-2-carboxylic acid
CID 23532368
7-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338205

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid (CID 121413599) is 7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid is Cc1ccc2cc(C(=O)O)sc2c1F.
What is the InChIKey of 7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid?
The InChIKey is VUBYHHMWEWWXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO2S/c1-5-2-3-6-4-7(10(12)13)14-9(6)8(5)11/h2-4H,1H3,(H,12,13).
What are the key properties of 7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid?
7-fluoro-6-methyl-1-benzothiophene-2-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 7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 121413599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).