2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde

C15H13NOS — CID 114057208

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C15H13NOS/c17-10-13-5-2-8-16-15(13)18-14-7-6-11-3-1-4-12(11)9-14/h2,5-10H,1,3-4H2
InChIKeyXXKXRPNSJIIRLE-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.53
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde (PubChem CID 114057208) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde
PubChem CID114057208
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C15H13NOS/c17-10-13-5-2-8-16-15(13)18-14-7-6-11-3-1-4-12(11)9-14/h2,5-10H,1,3-4H2
InChIKeyXXKXRPNSJIIRLE-UHFFFAOYSA-N
XLogP3.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-4-carboxylic acid
CID 107063707
2-aminosulfanylpyridine-3-carbaldehyde
CID 155744539
6-aminosulfanyl-2,3-dihydroindole-1-carbaldehyde;2-(2,3-dihydro-1H-inden-5-yl)-3-fluoropyridine
CID 170593330
4-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-thiazole-5-carbaldehyde
CID 80692328
2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine
CID 79075917
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine
CID 80893867
(3-formyl-2-pyridinyl) thiocyanate
CID 22633088
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80893146
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine
CID 80873809
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine
CID 55011812
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal
CID 165440470
2-benzylsulfanylpyridine-3-carbaldehyde
CID 4531915

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde (CID 114057208) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde is O=Cc1cccnc1Sc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde?
The InChIKey is XXKXRPNSJIIRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c17-10-13-5-2-8-16-15(13)18-14-7-6-11-3-1-4-12(11)9-14/h2,5-10H,1,3-4H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde has a molecular weight of 255.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 114057208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).