4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile

C20H13ClN2OS — CID 3487142

IUPAC4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESCSC1=C(C#N)C(c2ccccc2Cl)C2=C(N1)c1ccccc1C2=O
InChIInChI=1S/C20H13ClN2OS/c1-25-20-14(10-22)16(13-8-4-5-9-15(13)21)17-18(23-20)11-6-2-3-7-12(11)19(17)24/h2-9,16,23H,1H3
InChIKeyGPKKLPRWCJJAQL-UHFFFAOYSA-N
MW364.86 g/mol
LogP4.73
Rot. Bonds2

About 4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile

4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 3487142) has the molecular formula C20H13ClN2OS and a molecular weight of 364.86 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
PubChem CID3487142
Molecular FormulaC20H13ClN2OS
Molecular Weight364.86 g/mol
Exact Mass364.04
IUPAC Name4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESCSC1=C(C#N)C(c2ccccc2Cl)C2=C(N1)c1ccccc1C2=O
InChIInChI=1S/C20H13ClN2OS/c1-25-20-14(10-22)16(13-8-4-5-9-15(13)21)17-18(23-20)11-6-2-3-7-12(11)19(17)24/h2-9,16,23H,1H3
InChIKeyGPKKLPRWCJJAQL-UHFFFAOYSA-N
XLogP4.73
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile (CID 3487142) is 4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile is CSC1=C(C#N)C(c2ccccc2Cl)C2=C(N1)c1ccccc1C2=O.
What is the InChIKey of 4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is GPKKLPRWCJJAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2OS/c1-25-20-14(10-22)16(13-8-4-5-9-15(13)21)17-18(23-20)11-6-2-3-7-12(11)19(17)24/h2-9,16,23H,1H3.
What are the key properties of 4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 364.86 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 3487142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).