2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid

C13H9NO3S — CID 141030921

IUPAC2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid
SMILESO=S(O)c1ccc2oc(-c3ccncc3)ccc1-2
InChIInChI=1S/C13H9NO3S/c15-18(16)13-4-3-12-10(13)1-2-11(17-12)9-5-7-14-8-6-9/h1-8H,(H,15,16)
InChIKeyDDXBJLNTUDJSBW-UHFFFAOYSA-N
MW259.29 g/mol
LogP3.03
Rot. Bonds2

About 2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid

2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid (PubChem CID 141030921) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid.

Molecular Properties

Compound Name2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid
PubChem CID141030921
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Name2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid
SMILESO=S(O)c1ccc2oc(-c3ccncc3)ccc1-2
InChIInChI=1S/C13H9NO3S/c15-18(16)13-4-3-12-10(13)1-2-11(17-12)9-5-7-14-8-6-9/h1-8H,(H,15,16)
InChIKeyDDXBJLNTUDJSBW-UHFFFAOYSA-N
XLogP3.03
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

4-(5-naphthalen-1-ylfuran-2-yl)pyridine
CID 56932024
4-(5-methylfuran-2-yl)pyridine
CID 15721829
N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine
CID 122659590
(5-pyridin-4-ylfuran-2-yl)methanamine
CID 72716677
1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone
CID 59108811
2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 29129872
1-benzyl-4-[5-[5-(5-pyridin-4-ylfuran-2-yl)furan-2-yl]furan-2-yl]pyridin-1-ium
CID 102099243
gold;4-pyridin-4-ylpyridine
CID 159917709
ethane;4-pyridin-4-ylpyridine
CID 142013036
5-(4-acetylphenyl)-N-pyridin-4-ylfuran-2-carboxamide
CID 18109203
2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride
CID 19698713
bis(2-phenyl-5-(4-phenyl-1H-inden-1-id-2-yl)furan);zirconium(4+);dichloride
CID 18420842

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid?
The IUPAC name of 2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid (CID 141030921) is 2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid.
What is the SMILES notation for 2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid?
The canonical SMILES for 2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid is O=S(O)c1ccc2oc(-c3ccncc3)ccc1-2.
What is the InChIKey of 2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid?
The InChIKey is DDXBJLNTUDJSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c15-18(16)13-4-3-12-10(13)1-2-11(17-12)9-5-7-14-8-6-9/h1-8H,(H,15,16).
What are the key properties of 2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid?
2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid has a molecular weight of 259.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylcyclopenta[b]pyran-5-sulfinic acid is sourced from PubChem (CID 141030921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).