acetic acid;3-ethylpyridine-2-carboxylic acid

C10H13NO4 — CID 118035690

IUPACacetic acid;3-ethylpyridine-2-carboxylic acid
SMILESCC(=O)O.CCc1cccnc1C(=O)O
InChIInChI=1S/C8H9NO2.C2H4O2/c1-2-6-4-3-5-9-7(6)8(10)11;1-2(3)4/h3-5H,2H2,1H3,(H,10,11);1H3,(H,3,4)
InChIKeyAPMFKSVWDFMIAM-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.43
Rot. Bonds2

About acetic acid;3-ethylpyridine-2-carboxylic acid

acetic acid;3-ethylpyridine-2-carboxylic acid (PubChem CID 118035690) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is acetic acid;3-ethylpyridine-2-carboxylic acid.

Molecular Properties

Compound Nameacetic acid;3-ethylpyridine-2-carboxylic acid
PubChem CID118035690
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameacetic acid;3-ethylpyridine-2-carboxylic acid
SMILESCC(=O)O.CCc1cccnc1C(=O)O
InChIInChI=1S/C8H9NO2.C2H4O2/c1-2-6-4-3-5-9-7(6)8(10)11;1-2(3)4/h3-5H,2H2,1H3,(H,10,11);1H3,(H,3,4)
InChIKeyAPMFKSVWDFMIAM-UHFFFAOYSA-N
XLogP1.43
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
3-(methylsulfonylmethyl)pyridine-2-carboxylic acid
CID 153267401
1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
CID 82730826
2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one
CID 82730694
3-(pyrazol-1-ylmethyl)pyridine-2-carboxylic acid
CID 63073383
1-(3-ethyl-2-pyridinyl)-4,4-dimethylpentan-1-one
CID 82730843
3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63075184
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63068298
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid
CID 171238555
3-(2,5-diethylphenyl)pyridine-2-carboxylic acid
CID 107525268
3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid
CID 55181278

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-ethylpyridine-2-carboxylic acid?
The IUPAC name of acetic acid;3-ethylpyridine-2-carboxylic acid (CID 118035690) is acetic acid;3-ethylpyridine-2-carboxylic acid.
What is the SMILES notation for acetic acid;3-ethylpyridine-2-carboxylic acid?
The canonical SMILES for acetic acid;3-ethylpyridine-2-carboxylic acid is CC(=O)O.CCc1cccnc1C(=O)O.
What is the InChIKey of acetic acid;3-ethylpyridine-2-carboxylic acid?
The InChIKey is APMFKSVWDFMIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C2H4O2/c1-2-6-4-3-5-9-7(6)8(10)11;1-2(3)4/h3-5H,2H2,1H3,(H,10,11);1H3,(H,3,4).
What are the key properties of acetic acid;3-ethylpyridine-2-carboxylic acid?
acetic acid;3-ethylpyridine-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-ethylpyridine-2-carboxylic acid is sourced from PubChem (CID 118035690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).