acetic acid;1-ethylpyridin-1-ium;formic acid

C10H16NO4+ — CID 175559177

IUPACacetic acid;1-ethylpyridin-1-ium;formic acid
SMILESCC(=O)O.CC[n+]1ccccc1.O=CO
InChIInChI=1S/C7H10N.C2H4O2.CH2O2/c1-2-8-6-4-3-5-7-8;1-2(3)4;2-1-3/h3-7H,2H2,1H3;1H3,(H,3,4);1H,(H,2,3)/q+1;;
InChIKeyUEZJMVLHXQKWBE-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.79
Rot. Bonds1

About acetic acid;1-ethylpyridin-1-ium;formic acid

acetic acid;1-ethylpyridin-1-ium;formic acid (PubChem CID 175559177) has the molecular formula C10H16NO4+ and a molecular weight of 214.24 g/mol. Its IUPAC name is acetic acid;1-ethylpyridin-1-ium;formic acid.

Molecular Properties

Compound Nameacetic acid;1-ethylpyridin-1-ium;formic acid
PubChem CID175559177
Molecular FormulaC10H16NO4+
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Nameacetic acid;1-ethylpyridin-1-ium;formic acid
SMILESCC(=O)O.CC[n+]1ccccc1.O=CO
InChIInChI=1S/C7H10N.C2H4O2.CH2O2/c1-2-8-6-4-3-5-7-8;1-2(3)4;2-1-3/h3-7H,2H2,1H3;1H3,(H,3,4);1H,(H,2,3)/q+1;;
InChIKeyUEZJMVLHXQKWBE-UHFFFAOYSA-N
XLogP0.79
TPSA78.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

tris(1-ethylpyridin-1-ium);trichloride
CID 175102745
bis(1-ethylpyridin-1-ium);bromide;chloride
CID 70621329
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CID 172718921
1-ethylpyridin-1-ium;1-methylpyridin-1-ium
CID 160508395
tris(1-ethylpyridin-1-ium);tris(1-methylpyridin-1-ium)
CID 160797453
acetic acid;formic acid;hydrate
CID 158162755
tris(1-ethylpyridin-1-ium);2-hydroxypropane-1,2,3-tricarboxylate
CID 131712651
cyanamide;1-ethylpyridin-1-ium
CID 118237262
acetamide;benzene;formic acid
CID 174948168
aniline;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium
CID 123908407
acetic acid;formic acid;methanamine
CID 174229487
acetic acid;formic acid;methanol;hydrate
CID 162111021

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-ethylpyridin-1-ium;formic acid?
The IUPAC name of acetic acid;1-ethylpyridin-1-ium;formic acid (CID 175559177) is acetic acid;1-ethylpyridin-1-ium;formic acid.
What is the SMILES notation for acetic acid;1-ethylpyridin-1-ium;formic acid?
The canonical SMILES for acetic acid;1-ethylpyridin-1-ium;formic acid is CC(=O)O.CC[n+]1ccccc1.O=CO.
What is the InChIKey of acetic acid;1-ethylpyridin-1-ium;formic acid?
The InChIKey is UEZJMVLHXQKWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N.C2H4O2.CH2O2/c1-2-8-6-4-3-5-7-8;1-2(3)4;2-1-3/h3-7H,2H2,1H3;1H3,(H,3,4);1H,(H,2,3)/q+1;;.
What are the key properties of acetic acid;1-ethylpyridin-1-ium;formic acid?
acetic acid;1-ethylpyridin-1-ium;formic acid has a molecular weight of 214.24 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-ethylpyridin-1-ium;formic acid is sourced from PubChem (CID 175559177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).