2-pyridin-2-ylethyl hydrogen sulfite

C7H9NO3S — CID 57284965

IUPAC2-pyridin-2-ylethyl hydrogen sulfite
SMILESO=S(O)OCCc1ccccn1
InChIInChI=1S/C7H9NO3S/c9-12(10)11-6-4-7-3-1-2-5-8-7/h1-3,5H,4,6H2,(H,9,10)
InChIKeyFCZUMEGLCSOSGS-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.78
Rot. Bonds4

About 2-pyridin-2-ylethyl hydrogen sulfite

2-pyridin-2-ylethyl hydrogen sulfite (PubChem CID 57284965) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-pyridin-2-ylethyl hydrogen sulfite.

Molecular Properties

Compound Name2-pyridin-2-ylethyl hydrogen sulfite
PubChem CID57284965
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2-pyridin-2-ylethyl hydrogen sulfite
SMILESO=S(O)OCCc1ccccn1
InChIInChI=1S/C7H9NO3S/c9-12(10)11-6-4-7-3-1-2-5-8-7/h1-3,5H,4,6H2,(H,9,10)
InChIKeyFCZUMEGLCSOSGS-UHFFFAOYSA-N
XLogP0.78
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(sulfinoamino)ethyl]pyridine
CID 68546056
2-ethylpyridine;sulfurous acid
CID 174743952
2-pyridin-2-ylethyl 2-sulfanylacetate
CID 71772265
2-[2-[(S)-methylsulfinyl]ethyl]pyridine
CID 97301952
2-pyridin-2-ylethyl pyrimidine-5-carboxylate
CID 141091460
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
2-(2-pyridin-2-ylethoxy)acetaldehyde
CID 54223442
2-pyridin-2-ylethoxymethanedithioate
CID 175683293
2-pyridin-2-ylethyl cyanate
CID 21195134
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
2-pyridin-2-ylethyl 2-aminobenzoate
CID 61323549
3-pyridin-2-ylpropyl hydrogen sulfate
CID 88630497

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethyl hydrogen sulfite?
The IUPAC name of 2-pyridin-2-ylethyl hydrogen sulfite (CID 57284965) is 2-pyridin-2-ylethyl hydrogen sulfite.
What is the SMILES notation for 2-pyridin-2-ylethyl hydrogen sulfite?
The canonical SMILES for 2-pyridin-2-ylethyl hydrogen sulfite is O=S(O)OCCc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylethyl hydrogen sulfite?
The InChIKey is FCZUMEGLCSOSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c9-12(10)11-6-4-7-3-1-2-5-8-7/h1-3,5H,4,6H2,(H,9,10).
What are the key properties of 2-pyridin-2-ylethyl hydrogen sulfite?
2-pyridin-2-ylethyl hydrogen sulfite has a molecular weight of 187.22 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethyl hydrogen sulfite is sourced from PubChem (CID 57284965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).