6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid

C9H5ClN2O2S — CID 58291709

IUPAC6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(-c2cccs2)n1
InChIInChI=1S/C9H5ClN2O2S/c10-7-4-5(9(13)14)11-8(12-7)6-2-1-3-15-6/h1-4H,(H,13,14)
InChIKeyGRELXHASKHJTPD-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.56
Rot. Bonds2

About 6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid

6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid (PubChem CID 58291709) has the molecular formula C9H5ClN2O2S and a molecular weight of 240.67 g/mol. Its IUPAC name is 6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid
PubChem CID58291709
Molecular FormulaC9H5ClN2O2S
Molecular Weight240.67 g/mol
Exact Mass239.98
IUPAC Name6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(-c2cccs2)n1
InChIInChI=1S/C9H5ClN2O2S/c10-7-4-5(9(13)14)11-8(12-7)6-2-1-3-15-6/h1-4H,(H,13,14)
InChIKeyGRELXHASKHJTPD-UHFFFAOYSA-N
XLogP2.56
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid (CID 58291709) is 6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(-c2cccs2)n1.
What is the InChIKey of 6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is GRELXHASKHJTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2S/c10-7-4-5(9(13)14)11-8(12-7)6-2-1-3-15-6/h1-4H,(H,13,14).
What are the key properties of 6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 240.67 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-thiophen-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 58291709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).