5-pyridin-2-ylsulfanylfuran-2-carboxylic acid

C10H7NO3S — CID 676679

IUPAC5-pyridin-2-ylsulfanylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(Sc2ccccn2)o1
InChIInChI=1S/C10H7NO3S/c12-10(13)7-4-5-9(14-7)15-8-3-1-2-6-11-8/h1-6H,(H,12,13)
InChIKeyDOOWTINMELDKFB-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.52
Rot. Bonds3

About 5-pyridin-2-ylsulfanylfuran-2-carboxylic acid

5-pyridin-2-ylsulfanylfuran-2-carboxylic acid (PubChem CID 676679) has the molecular formula C10H7NO3S and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-pyridin-2-ylsulfanylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-pyridin-2-ylsulfanylfuran-2-carboxylic acid
PubChem CID676679
Molecular FormulaC10H7NO3S
Molecular Weight221.24 g/mol
Exact Mass221.01
IUPAC Name5-pyridin-2-ylsulfanylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(Sc2ccccn2)o1
InChIInChI=1S/C10H7NO3S/c12-10(13)7-4-5-9(14-7)15-8-3-1-2-6-11-8/h1-6H,(H,12,13)
InChIKeyDOOWTINMELDKFB-UHFFFAOYSA-N
XLogP2.52
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-tert-butyl-2-pyridinyl)sulfanyl]furan-2-carboxylic acid
CID 114011525
5-pyridin-2-ylsulfanylfuran-2-carbaldehyde
CID 2794784
5-[2-(dimethylamino)pyrimidin-4-yl]sulfanylfuran-2-carboxylic acid
CID 64828686
5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]furan-2-carboxylic acid
CID 62206914
(NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine
CID 171980324
5-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]furan-2-carboxylic acid
CID 113370700
5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid
CID 62206739
5-(2-nitrophenyl)sulfanylfuran-2-carboxylic acid
CID 62205515
5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carboxylic acid;ethane
CID 145098806
5-(5-chloropyrimidin-4-yl)sulfanylfuran-2-carboxylic acid
CID 105368993
5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid
CID 60703842
5-(pyridin-2-ylmethylamino)furan-2-carboxylic acid
CID 62205127

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-ylsulfanylfuran-2-carboxylic acid?
The IUPAC name of 5-pyridin-2-ylsulfanylfuran-2-carboxylic acid (CID 676679) is 5-pyridin-2-ylsulfanylfuran-2-carboxylic acid.
What is the SMILES notation for 5-pyridin-2-ylsulfanylfuran-2-carboxylic acid?
The canonical SMILES for 5-pyridin-2-ylsulfanylfuran-2-carboxylic acid is O=C(O)c1ccc(Sc2ccccn2)o1.
What is the InChIKey of 5-pyridin-2-ylsulfanylfuran-2-carboxylic acid?
The InChIKey is DOOWTINMELDKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3S/c12-10(13)7-4-5-9(14-7)15-8-3-1-2-6-11-8/h1-6H,(H,12,13).
What are the key properties of 5-pyridin-2-ylsulfanylfuran-2-carboxylic acid?
5-pyridin-2-ylsulfanylfuran-2-carboxylic acid has a molecular weight of 221.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-ylsulfanylfuran-2-carboxylic acid is sourced from PubChem (CID 676679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).