2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid

C10H7ClO3S — CID 83825002

IUPAC2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid
SMILESCOc1cccc2c(C(=O)O)c(Cl)sc12
InChIInChI=1S/C10H7ClO3S/c1-14-6-4-2-3-5-7(10(12)13)9(11)15-8(5)6/h2-4H,1H3,(H,12,13)
InChIKeyIDXNFSBVRSWWBX-UHFFFAOYSA-N
MW242.68 g/mol
LogP3.26
Rot. Bonds2

About 2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid

2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid (PubChem CID 83825002) has the molecular formula C10H7ClO3S and a molecular weight of 242.68 g/mol. Its IUPAC name is 2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid
PubChem CID83825002
Molecular FormulaC10H7ClO3S
Molecular Weight242.68 g/mol
Exact Mass241.98
IUPAC Name2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid
SMILESCOc1cccc2c(C(=O)O)c(Cl)sc12
InChIInChI=1S/C10H7ClO3S/c1-14-6-4-2-3-5-7(10(12)13)9(11)15-8(5)6/h2-4H,1H3,(H,12,13)
InChIKeyIDXNFSBVRSWWBX-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-dichloro-1-benzothiophene-3-carboxylic acid
CID 130785966
3,7-dimethoxy-1-benzothiophene-2-carboxylic acid
CID 83919270
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
1-(7-methoxy-3-methyl-1-benzothiophen-2-yl)-3-methylurea
CID 143739716
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
(1-aminocyclopropyl)-(2-chloro-6-methoxyphenyl)methanone
CID 130730363
7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxylic acid;propan-2-yl 7-methoxy-3-propan-2-yloxy-1-benzothiophene-2-carboxylate
CID 157060993
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
2-(1-chloro-2-oxopropyl)-6-methoxybenzoic acid
CID 131265931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid?
The IUPAC name of 2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid (CID 83825002) is 2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid.
What is the SMILES notation for 2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid?
The canonical SMILES for 2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid is COc1cccc2c(C(=O)O)c(Cl)sc12.
What is the InChIKey of 2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid?
The InChIKey is IDXNFSBVRSWWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3S/c1-14-6-4-2-3-5-7(10(12)13)9(11)15-8(5)6/h2-4H,1H3,(H,12,13).
What are the key properties of 2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid?
2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid has a molecular weight of 242.68 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid is sourced from PubChem (CID 83825002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).