[(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane

C13H10ClFN2S — CID 174289041

IUPAC[(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane
SMILES[H]/N=S(\C=C\c1ccccc1Cl)c1ncccc1F
InChIInChI=1S/C13H10ClFN2S/c14-11-5-2-1-4-10(11)7-9-18(16)13-12(15)6-3-8-17-13/h1-9,16H/b9-7+
InChIKeyULSBBTNFYBLFBB-VQHVLOKHSA-N
MW280.76 g/mol
LogP4.28
Rot. Bonds3

About [(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane

[(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane (PubChem CID 174289041) has the molecular formula C13H10ClFN2S and a molecular weight of 280.76 g/mol. Its IUPAC name is [(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane.

Molecular Properties

Compound Name[(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane
PubChem CID174289041
Molecular FormulaC13H10ClFN2S
Molecular Weight280.76 g/mol
Exact Mass280.02
IUPAC Name[(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane
SMILES[H]/N=S(\C=C\c1ccccc1Cl)c1ncccc1F
InChIInChI=1S/C13H10ClFN2S/c14-11-5-2-1-4-10(11)7-9-18(16)13-12(15)6-3-8-17-13/h1-9,16H/b9-7+
InChIKeyULSBBTNFYBLFBB-VQHVLOKHSA-N
XLogP4.28
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane?
The IUPAC name of [(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane (CID 174289041) is [(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane.
What is the SMILES notation for [(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane?
The canonical SMILES for [(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane is [H]/N=S(\C=C\c1ccccc1Cl)c1ncccc1F.
What is the InChIKey of [(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane?
The InChIKey is ULSBBTNFYBLFBB-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H10ClFN2S/c14-11-5-2-1-4-10(11)7-9-18(16)13-12(15)6-3-8-17-13/h1-9,16H/b9-7+.
What are the key properties of [(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane?
[(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane has a molecular weight of 280.76 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2-chlorophenyl)ethenyl]-(3-fluoro-2-pyridinyl)-imino-λ4-sulfane is sourced from PubChem (CID 174289041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).