5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid

C11H10N2O2S — CID 2052640

IUPAC5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid
SMILESCc1cc(-c2ccc(C(=O)O)s2)cnc1N
InChIInChI=1S/C11H10N2O2S/c1-6-4-7(5-13-10(6)12)8-2-3-9(16-8)11(14)15/h2-5H,1H3,(H2,12,13)(H,14,15)
InChIKeyRHGPTOUJLXZQEP-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.40
Rot. Bonds2

About 5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid

5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid (PubChem CID 2052640) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid
PubChem CID2052640
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid
SMILESCc1cc(-c2ccc(C(=O)O)s2)cnc1N
InChIInChI=1S/C11H10N2O2S/c1-6-4-7(5-13-10(6)12)8-2-3-9(16-8)11(14)15/h2-5H,1H3,(H2,12,13)(H,14,15)
InChIKeyRHGPTOUJLXZQEP-UHFFFAOYSA-N
XLogP2.40
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid (CID 2052640) is 5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid is Cc1cc(-c2ccc(C(=O)O)s2)cnc1N.
What is the InChIKey of 5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid?
The InChIKey is RHGPTOUJLXZQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-6-4-7(5-13-10(6)12)8-2-3-9(16-8)11(14)15/h2-5H,1H3,(H2,12,13)(H,14,15).
What are the key properties of 5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid?
5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-5-methyl-3-pyridinyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 2052640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).