2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid

C11H9NO3S — CID 107779261

IUPAC2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
SMILESCc1occc1Sc1cc(C(=O)O)ccn1
InChIInChI=1S/C11H9NO3S/c1-7-9(3-5-15-7)16-10-6-8(11(13)14)2-4-12-10/h2-6H,1H3,(H,13,14)
InChIKeyLPJIORMNALHJOB-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.83
Rot. Bonds3

About 2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid

2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid (PubChem CID 107779261) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
PubChem CID107779261
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
SMILESCc1occc1Sc1cc(C(=O)O)ccn1
InChIInChI=1S/C11H9NO3S/c1-7-9(3-5-15-7)16-10-6-8(11(13)14)2-4-12-10/h2-6H,1H3,(H,13,14)
InChIKeyLPJIORMNALHJOB-UHFFFAOYSA-N
XLogP2.83
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
CID 107779233
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 60726439
5-chloro-6-(2-methylfuran-3-yl)sulfanylpyridine-3-carboxylic acid
CID 107779300
2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid
CID 106972467
2-[2-(trifluoromethyl)phenyl]sulfanylpyridine-4-carboxylic acid
CID 62315096
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]pyridine-4-carboxylic acid
CID 61301283
2-(2-methylfuran-3-yl)sulfanylquinoline-5-carboxylic acid
CID 107779248
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 60726288
2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid
CID 81303665
4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid
CID 107779278
2-(trifluoromethylsulfanyl)pyridine-4-carboxylic acid
CID 61301083
2-[4-(trifluoromethyl)phenyl]sulfanylpyridine-4-carboxylic acid
CID 62648248

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid (CID 107779261) is 2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid is Cc1occc1Sc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid?
The InChIKey is LPJIORMNALHJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-7-9(3-5-15-7)16-10-6-8(11(13)14)2-4-12-10/h2-6H,1H3,(H,13,14).
What are the key properties of 2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid?
2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 107779261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).