[6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate

C12H8N2O3S2 — CID 164800287

IUPAC[6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate
SMILESO=COc1ccc(SSc2ccc(C=O)cn2)nc1
InChIInChI=1S/C12H8N2O3S2/c15-7-9-1-3-11(13-5-9)18-19-12-4-2-10(6-14-12)17-8-16/h1-8H
InChIKeyGWLDAQQHPUVAAG-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.62
Rot. Bonds6

About [6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate

[6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate (PubChem CID 164800287) has the molecular formula C12H8N2O3S2 and a molecular weight of 292.34 g/mol. Its IUPAC name is [6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate.

Molecular Properties

Compound Name[6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate
PubChem CID164800287
Molecular FormulaC12H8N2O3S2
Molecular Weight292.34 g/mol
Exact Mass292.00
IUPAC Name[6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate
SMILESO=COc1ccc(SSc2ccc(C=O)cn2)nc1
InChIInChI=1S/C12H8N2O3S2/c15-7-9-1-3-11(13-5-9)18-19-12-4-2-10(6-14-12)17-8-16/h1-8H
InChIKeyGWLDAQQHPUVAAG-UHFFFAOYSA-N
XLogP2.62
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-ethylsulfanylpyridine-3-carbaldehyde
CID 80639990
(6-ethyl-3-pyridinyl) formate
CID 174587869
6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde
CID 80639451
6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde
CID 80640673
6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde
CID 80639523
6-(4-iodophenoxy)pyridine-3-carbaldehyde
CID 80632740
6-methoxypyridine-3-carbaldehyde
CID 3364576
5-formylpyridine-2-carbonitrile
CID 10986263
6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde
CID 102160663
6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde
CID 59255367
6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde
CID 146390094
4-[(6-chloro-3-pyridinyl)oxy]benzaldehyde
CID 118176488

Frequently Asked Questions

What is the IUPAC name of [6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate?
The IUPAC name of [6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate (CID 164800287) is [6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate.
What is the SMILES notation for [6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate?
The canonical SMILES for [6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate is O=COc1ccc(SSc2ccc(C=O)cn2)nc1.
What is the InChIKey of [6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate?
The InChIKey is GWLDAQQHPUVAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S2/c15-7-9-1-3-11(13-5-9)18-19-12-4-2-10(6-14-12)17-8-16/h1-8H.
What are the key properties of [6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate?
[6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate has a molecular weight of 292.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate is sourced from PubChem (CID 164800287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).