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

C13H11ClN2OS — CID 170607277

IUPAC[(E)-2-(3-chlorophenyl)ethenyl]-imino-oxo-pyridin-2-yl-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C13H11ClN2OS/c14-12-5-3-4-11(10-12)7-9-18(15,17)13-6-1-2-8-16-13/h1-10,15H/b9-7+
InChIKeyPVLCAVUGJJEKOP-VQHVLOKHSA-N
MW278.76 g/mol
LogP3.81
Rot. Bonds3

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

[(E)-2-(3-chlorophenyl)ethenyl]-imino-oxo-pyridin-2-yl-λ6-sulfane (PubChem CID 170607277) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is [(E)-2-(3-chlorophenyl)ethenyl]-imino-oxo-pyridin-2-yl-λ6-sulfane.

Molecular Properties

Compound Name[(E)-2-(3-chlorophenyl)ethenyl]-imino-oxo-pyridin-2-yl-λ6-sulfane
PubChem CID170607277
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name[(E)-2-(3-chlorophenyl)ethenyl]-imino-oxo-pyridin-2-yl-λ6-sulfane
SMILES[H]N=S(=O)(/C=C/c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C13H11ClN2OS/c14-12-5-3-4-11(10-12)7-9-18(15,17)13-6-1-2-8-16-13/h1-10,15H/b9-7+
InChIKeyPVLCAVUGJJEKOP-VQHVLOKHSA-N
XLogP3.81
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(3-chlorophenyl)ethenyl]-imino-oxo-pyridin-2-yl-λ6-sulfane?
The IUPAC name of [(E)-2-(3-chlorophenyl)ethenyl]-imino-oxo-pyridin-2-yl-λ6-sulfane (CID 170607277) is [(E)-2-(3-chlorophenyl)ethenyl]-imino-oxo-pyridin-2-yl-λ6-sulfane.
What is the SMILES notation for [(E)-2-(3-chlorophenyl)ethenyl]-imino-oxo-pyridin-2-yl-λ6-sulfane?
The canonical SMILES for [(E)-2-(3-chlorophenyl)ethenyl]-imino-oxo-pyridin-2-yl-λ6-sulfane is [H]N=S(=O)(/C=C/c1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of [(E)-2-(3-chlorophenyl)ethenyl]-imino-oxo-pyridin-2-yl-λ6-sulfane?
The InChIKey is PVLCAVUGJJEKOP-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c14-12-5-3-4-11(10-12)7-9-18(15,17)13-6-1-2-8-16-13/h1-10,15H/b9-7+.
What are the key properties of [(E)-2-(3-chlorophenyl)ethenyl]-imino-oxo-pyridin-2-yl-λ6-sulfane?
[(E)-2-(3-chlorophenyl)ethenyl]-imino-oxo-pyridin-2-yl-λ6-sulfane has a molecular weight of 278.76 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(3-chlorophenyl)ethenyl]-imino-oxo-pyridin-2-yl-λ6-sulfane is sourced from PubChem (CID 170607277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).