5-cyanothiophene-2-carboxylic acid

C6H3NO2S — CID 6420583

IUPAC5-cyanothiophene-2-carboxylic acid
SMILESN#Cc1ccc(C(=O)O)s1
InChIInChI=1S/C6H3NO2S/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,(H,8,9)
InChIKeyKAPWVQLXFIZKGS-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.32
Rot. Bonds1

About 5-cyanothiophene-2-carboxylic acid

5-cyanothiophene-2-carboxylic acid (PubChem CID 6420583) has the molecular formula C6H3NO2S and a molecular weight of 153.16 g/mol. Its IUPAC name is 5-cyanothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-cyanothiophene-2-carboxylic acid
PubChem CID6420583
Molecular FormulaC6H3NO2S
Molecular Weight153.16 g/mol
Exact Mass152.99
IUPAC Name5-cyanothiophene-2-carboxylic acid
SMILESN#Cc1ccc(C(=O)O)s1
InChIInChI=1S/C6H3NO2S/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,(H,8,9)
InChIKeyKAPWVQLXFIZKGS-UHFFFAOYSA-N
XLogP1.32
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyanothiophene-2-carboxylic acid?
The IUPAC name of 5-cyanothiophene-2-carboxylic acid (CID 6420583) is 5-cyanothiophene-2-carboxylic acid.
What is the SMILES notation for 5-cyanothiophene-2-carboxylic acid?
The canonical SMILES for 5-cyanothiophene-2-carboxylic acid is N#Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-cyanothiophene-2-carboxylic acid?
The InChIKey is KAPWVQLXFIZKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3NO2S/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,(H,8,9).
What are the key properties of 5-cyanothiophene-2-carboxylic acid?
5-cyanothiophene-2-carboxylic acid has a molecular weight of 153.16 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyanothiophene-2-carboxylic acid is sourced from PubChem (CID 6420583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).