1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone

C15H12N2OS — CID 114055727

IUPAC1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1Sc1cc2ccccc2[nH]1
InChIInChI=1S/C15H12N2OS/c1-10(18)12-6-4-8-16-15(12)19-14-9-11-5-2-3-7-13(11)17-14/h2-9,17H,1H3
InChIKeyLZJYSJQBFRVREL-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.92
Rot. Bonds3

About 1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone

1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone (PubChem CID 114055727) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone
PubChem CID114055727
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1Sc1cc2ccccc2[nH]1
InChIInChI=1S/C15H12N2OS/c1-10(18)12-6-4-8-16-15(12)19-14-9-11-5-2-3-7-13(11)17-14/h2-9,17H,1H3
InChIKeyLZJYSJQBFRVREL-UHFFFAOYSA-N
XLogP3.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 107063811
1-[5-bromo-2-(1H-indol-2-ylsulfanyl)phenyl]ethanone
CID 82971388
1-[2-(1H-indol-2-ylsulfanyl)phenyl]propan-1-one
CID 115994771
5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide
CID 114409781
[6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol
CID 80651696
methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate
CID 114409779
5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 114920158
4-(1H-indol-2-ylsulfanyl)-2-methylbenzoic acid
CID 81294256
methyl 2-amino-3-(1H-indol-2-ylsulfanyl)benzoate
CID 115547694
5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80890508
5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891225
5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine
CID 104507692

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone (CID 114055727) is 1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone is CC(=O)c1cccnc1Sc1cc2ccccc2[nH]1.
What is the InChIKey of 1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone?
The InChIKey is LZJYSJQBFRVREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10(18)12-6-4-8-16-15(12)19-14-9-11-5-2-3-7-13(11)17-14/h2-9,17H,1H3.
What are the key properties of 1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone?
1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone has a molecular weight of 268.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 114055727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).