2-ethylpyridine;sulfurous acid

C7H13NO6S2 — CID 174743952

IUPAC2-ethylpyridine;sulfurous acid
SMILESCCc1ccccn1.O=S(O)O.O=S(O)O
InChIInChI=1S/C7H9N.2H2O3S/c1-2-7-5-3-4-6-8-7;2*1-4(2)3/h3-6H,2H2,1H3;2*(H2,1,2,3)
InChIKeyKMCMQBXPKJTZBK-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.01
Rot. Bonds1

About 2-ethylpyridine;sulfurous acid

2-ethylpyridine;sulfurous acid (PubChem CID 174743952) has the molecular formula C7H13NO6S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-ethylpyridine;sulfurous acid.

Molecular Properties

Compound Name2-ethylpyridine;sulfurous acid
PubChem CID174743952
Molecular FormulaC7H13NO6S2
Molecular Weight271.32 g/mol
Exact Mass271.02
IUPAC Name2-ethylpyridine;sulfurous acid
SMILESCCc1ccccn1.O=S(O)O.O=S(O)O
InChIInChI=1S/C7H9N.2H2O3S/c1-2-7-5-3-4-6-8-7;2*1-4(2)3/h3-6H,2H2,1H3;2*(H2,1,2,3)
InChIKeyKMCMQBXPKJTZBK-UHFFFAOYSA-N
XLogP1.01
TPSA127.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 67363352
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acetylene;2-ethylpyridine
CID 145358493
ethane;2-ethylpyridine;methane
CID 142439308
2-ethylpyridine;methanesulfonic acid
CID 86038816
2-ethylpyridine;2-methylpyridine
CID 19020939
1-chlorotetradecane;2-ethylpyridine
CID 160860410
2-ethylpyridine;1-fluoro-2-methylbenzene
CID 142160976
2-[2-[(S)-methylsulfinyl]ethyl]pyridine
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2-pyridin-2-ylethyl hydrogen sulfite
CID 57284965

Frequently Asked Questions

What is the IUPAC name of 2-ethylpyridine;sulfurous acid?
The IUPAC name of 2-ethylpyridine;sulfurous acid (CID 174743952) is 2-ethylpyridine;sulfurous acid.
What is the SMILES notation for 2-ethylpyridine;sulfurous acid?
The canonical SMILES for 2-ethylpyridine;sulfurous acid is CCc1ccccn1.O=S(O)O.O=S(O)O.
What is the InChIKey of 2-ethylpyridine;sulfurous acid?
The InChIKey is KMCMQBXPKJTZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.2H2O3S/c1-2-7-5-3-4-6-8-7;2*1-4(2)3/h3-6H,2H2,1H3;2*(H2,1,2,3).
What are the key properties of 2-ethylpyridine;sulfurous acid?
2-ethylpyridine;sulfurous acid has a molecular weight of 271.32 g/mol, XLogP of 1.01, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyridine;sulfurous acid is sourced from PubChem (CID 174743952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).