1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid

C14H15NO4S — CID 139677404

IUPAC1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2cccs2)C(C(=O)O)=C(C)N1C
InChIInChI=1S/C14H15NO4S/c1-7-10(13(16)17)12(9-5-4-6-20-9)11(14(18)19)8(2)15(7)3/h4-6,12H,1-3H3,(H,16,17)(H,18,19)
InChIKeyZSEUFBRZYNCQRJ-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.49
Rot. Bonds3

About 1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid

1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid (PubChem CID 139677404) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid
PubChem CID139677404
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid
SMILESCC1=C(C(=O)O)C(c2cccs2)C(C(=O)O)=C(C)N1C
InChIInChI=1S/C14H15NO4S/c1-7-10(13(16)17)12(9-5-4-6-20-9)11(14(18)19)8(2)15(7)3/h4-6,12H,1-3H3,(H,16,17)(H,18,19)
InChIKeyZSEUFBRZYNCQRJ-UHFFFAOYSA-N
XLogP2.49
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid (CID 139677404) is 1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid is CC1=C(C(=O)O)C(c2cccs2)C(C(=O)O)=C(C)N1C.
What is the InChIKey of 1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid?
The InChIKey is ZSEUFBRZYNCQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-7-10(13(16)17)12(9-5-4-6-20-9)11(14(18)19)8(2)15(7)3/h4-6,12H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid?
1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 139677404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).