5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid

C10H8N2O2S — CID 39830981

IUPAC5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid
SMILESCc1nccc(-c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C10H8N2O2S/c1-6-11-5-4-7(12-6)8-2-3-9(15-8)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeySJZBHDYTRLSVRE-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.21
Rot. Bonds2

About 5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid

5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid (PubChem CID 39830981) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid
PubChem CID39830981
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid
SMILESCc1nccc(-c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C10H8N2O2S/c1-6-11-5-4-7(12-6)8-2-3-9(15-8)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeySJZBHDYTRLSVRE-UHFFFAOYSA-N
XLogP2.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid (CID 39830981) is 5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid is Cc1nccc(-c2ccc(C(=O)O)s2)n1.
What is the InChIKey of 5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid?
The InChIKey is SJZBHDYTRLSVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-11-5-4-7(12-6)8-2-3-9(15-8)10(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid?
5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid has a molecular weight of 220.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrimidin-4-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 39830981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).