2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid

C13H11NO4S — CID 2740771

IUPAC2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(-c2cccs2)c1C(=O)O
InChIInChI=1S/C13H11NO4S/c1-6-9(12(15)16)11(8-4-3-5-19-8)10(13(17)18)7(2)14-6/h3-5H,1-2H3,(H,15,16)(H,17,18)
InChIKeyICZSZWFKBXSBAV-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.82
Rot. Bonds3

About 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid

2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid (PubChem CID 2740771) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid
PubChem CID2740771
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(-c2cccs2)c1C(=O)O
InChIInChI=1S/C13H11NO4S/c1-6-9(12(15)16)11(8-4-3-5-19-8)10(13(17)18)7(2)14-6/h3-5H,1-2H3,(H,15,16)(H,17,18)
InChIKeyICZSZWFKBXSBAV-UHFFFAOYSA-N
XLogP2.82
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid?
The IUPAC name of 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid (CID 2740771) is 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid is Cc1nc(C)c(C(=O)O)c(-c2cccs2)c1C(=O)O.
What is the InChIKey of 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid?
The InChIKey is ICZSZWFKBXSBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c1-6-9(12(15)16)11(8-4-3-5-19-8)10(13(17)18)7(2)14-6/h3-5H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid?
2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 2740771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).