5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid

C9H5ClN2O3S — CID 105368993

IUPAC5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(Sc2ncncc2Cl)o1
InChIInChI=1S/C9H5ClN2O3S/c10-5-3-11-4-12-8(5)16-7-2-1-6(15-7)9(13)14/h1-4H,(H,13,14)
InChIKeyBSTDLBPVARTOND-UHFFFAOYSA-N
MW256.67 g/mol
LogP2.57
Rot. Bonds3

About 5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid

5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid (PubChem CID 105368993) has the molecular formula C9H5ClN2O3S and a molecular weight of 256.67 g/mol. Its IUPAC name is 5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid
PubChem CID105368993
Molecular FormulaC9H5ClN2O3S
Molecular Weight256.67 g/mol
Exact Mass255.97
IUPAC Name5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(Sc2ncncc2Cl)o1
InChIInChI=1S/C9H5ClN2O3S/c10-5-3-11-4-12-8(5)16-7-2-1-6(15-7)9(13)14/h1-4H,(H,13,14)
InChIKeyBSTDLBPVARTOND-UHFFFAOYSA-N
XLogP2.57
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid?
The IUPAC name of 5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid (CID 105368993) is 5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid.
What is the SMILES notation for 5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid?
The canonical SMILES for 5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid is O=C(O)c1ccc(Sc2ncncc2Cl)o1.
What is the InChIKey of 5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid?
The InChIKey is BSTDLBPVARTOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O3S/c10-5-3-11-4-12-8(5)16-7-2-1-6(15-7)9(13)14/h1-4H,(H,13,14).
What are the key properties of 5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid?
5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid has a molecular weight of 256.67 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid is sourced from PubChem (CID 105368993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).