imino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane

C13H13N3O2S — CID 170607355

IUPACimino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ncccc1OC)c1ccccn1
InChIInChI=1S/C13H13N3O2S/c1-18-12-5-4-9-15-11(12)7-10-19(14,17)13-6-2-3-8-16-13/h2-10,14H,1H3/b10-7+
InChIKeyUBIYTSAQXZYOTO-JXMROGBWSA-N
MW275.33 g/mol
LogP2.56
Rot. Bonds4

About imino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane

imino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane (PubChem CID 170607355) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is imino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane.

Molecular Properties

Compound Nameimino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane
PubChem CID170607355
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Nameimino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1ncccc1OC)c1ccccn1
InChIInChI=1S/C13H13N3O2S/c1-18-12-5-4-9-15-11(12)7-10-19(14,17)13-6-2-3-8-16-13/h2-10,14H,1H3/b10-7+
InChIKeyUBIYTSAQXZYOTO-JXMROGBWSA-N
XLogP2.56
TPSA75.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of imino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane?
The IUPAC name of imino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane (CID 170607355) is imino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane.
What is the SMILES notation for imino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane?
The canonical SMILES for imino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane is [H]N=S(=O)(/C=C/c1ncccc1OC)c1ccccn1.
What is the InChIKey of imino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane?
The InChIKey is UBIYTSAQXZYOTO-JXMROGBWSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-18-12-5-4-9-15-11(12)7-10-19(14,17)13-6-2-3-8-16-13/h2-10,14H,1H3/b10-7+.
What are the key properties of imino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane?
imino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane has a molecular weight of 275.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-oxo-pyridin-2-yl-λ6-sulfane is sourced from PubChem (CID 170607355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).