3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine

C14H12N3O3S- — CID 71010337

IUPAC3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine
SMILESCCc1nc(Oc2ccc(NS(=O)[O-])cc2)ccc1C#N
InChIInChI=1S/C14H13N3O3S/c1-2-13-10(9-15)3-8-14(16-13)20-12-6-4-11(5-7-12)17-21(18)19/h3-8,17H,2H2,1H3,(H,18,19)/p-1
InChIKeyWYOCZTBPSOHTNA-UHFFFAOYSA-M
MW302.34 g/mol
LogP2.51
Rot. Bonds5

About 3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine

3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine (PubChem CID 71010337) has the molecular formula C14H12N3O3S- and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine.

Molecular Properties

Compound Name3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine
PubChem CID71010337
Molecular FormulaC14H12N3O3S-
Molecular Weight302.34 g/mol
Exact Mass302.06
IUPAC Name3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine
SMILESCCc1nc(Oc2ccc(NS(=O)[O-])cc2)ccc1C#N
InChIInChI=1S/C14H13N3O3S/c1-2-13-10(9-15)3-8-14(16-13)20-12-6-4-11(5-7-12)17-21(18)19/h3-8,17H,2H2,1H3,(H,18,19)/p-1
InChIKeyWYOCZTBPSOHTNA-UHFFFAOYSA-M
XLogP2.51
TPSA98.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine?
The IUPAC name of 3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine (CID 71010337) is 3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine.
What is the SMILES notation for 3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine?
The canonical SMILES for 3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine is CCc1nc(Oc2ccc(NS(=O)[O-])cc2)ccc1C#N.
What is the InChIKey of 3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine?
The InChIKey is WYOCZTBPSOHTNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13N3O3S/c1-2-13-10(9-15)3-8-14(16-13)20-12-6-4-11(5-7-12)17-21(18)19/h3-8,17H,2H2,1H3,(H,18,19)/p-1.
What are the key properties of 3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine?
3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine has a molecular weight of 302.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine is sourced from PubChem (CID 71010337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).