5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid

C11H8ClNO3S — CID 107779300

IUPAC5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid
SMILESCc1occc1Sc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C11H8ClNO3S/c1-6-9(2-3-16-6)17-10-8(12)4-7(5-13-10)11(14)15/h2-5H,1H3,(H,14,15)
InChIKeyXHYIQVKNPPOKHE-UHFFFAOYSA-N
MW269.71 g/mol
LogP3.49
Rot. Bonds3

About 5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid

5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid (PubChem CID 107779300) has the molecular formula C11H8ClNO3S and a molecular weight of 269.71 g/mol. Its IUPAC name is 5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid
PubChem CID107779300
Molecular FormulaC11H8ClNO3S
Molecular Weight269.71 g/mol
Exact Mass268.99
IUPAC Name5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid
SMILESCc1occc1Sc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C11H8ClNO3S/c1-6-9(2-3-16-6)17-10-8(12)4-7(5-13-10)11(14)15/h2-5H,1H3,(H,14,15)
InChIKeyXHYIQVKNPPOKHE-UHFFFAOYSA-N
XLogP3.49
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid (CID 107779300) is 5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid is Cc1occc1Sc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is XHYIQVKNPPOKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3S/c1-6-9(2-3-16-6)17-10-8(12)4-7(5-13-10)11(14)15/h2-5H,1H3,(H,14,15).
What are the key properties of 5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid?
5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 269.71 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 107779300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).