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

C9H4ClFO2S — CID 130898358

IUPAC6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2cc(F)sc12
InChIInChI=1S/C9H4ClFO2S/c10-5-2-1-4-3-6(11)14-8(4)7(5)9(12)13/h1-3H,(H,12,13)
InChIKeyHUDODLXAYJFJSL-UHFFFAOYSA-N
MW230.65 g/mol
LogP3.39
Rot. Bonds1

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

6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid (PubChem CID 130898358) has the molecular formula C9H4ClFO2S and a molecular weight of 230.65 g/mol. Its IUPAC name is 6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid
PubChem CID130898358
Molecular FormulaC9H4ClFO2S
Molecular Weight230.65 g/mol
Exact Mass229.96
IUPAC Name6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2cc(F)sc12
InChIInChI=1S/C9H4ClFO2S/c10-5-2-1-4-3-6(11)14-8(4)7(5)9(12)13/h1-3H,(H,12,13)
InChIKeyHUDODLXAYJFJSL-UHFFFAOYSA-N
XLogP3.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-sulfanyl-1-benzothiophene-7-carboxylic acid
CID 130855169
6-chloro-7-fluoro-1-benzothiophene-2-carboxylic acid
CID 121427356
6-chloro-3-fluoro-2-methylbenzoic acid
CID 68752912
3,6-dichloro-2-hydroxybenzoic acid
CID 162211371
5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid
CID 130816675
5,6-dichloro-1-benzothiophene-7-carboxylic acid
CID 130926256
6-chloro-2-fluoro-1-benzothiophene-4-carboxylic acid
CID 130969858
4-chloro-3-fluorobenzoic acid
CID 2736536
3,7-dichloroquinoline-8-carboxylic acid;hydrochloride
CID 70394889
CID 11251659
CID 11251659
7-bromo-2-fluoro-1-benzothiophen-6-ol
CID 130854965
4-chloro-2-fluoro-1-benzothiophen-7-ol
CID 130865403

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid?
The IUPAC name of 6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid (CID 130898358) is 6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid.
What is the SMILES notation for 6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid?
The canonical SMILES for 6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid is O=C(O)c1c(Cl)ccc2cc(F)sc12.
What is the InChIKey of 6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid?
The InChIKey is HUDODLXAYJFJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClFO2S/c10-5-2-1-4-3-6(11)14-8(4)7(5)9(12)13/h1-3H,(H,12,13).
What are the key properties of 6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid?
6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid has a molecular weight of 230.65 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid is sourced from PubChem (CID 130898358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).