3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid

C16H18N2O4 — CID 158792112

IUPAC3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid
SMILESCCc1cccnc1.CCc1cnc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C9H9NO4.C7H9N/c1-2-5-3-6(8(11)12)7(9(13)14)10-4-5;1-2-7-4-3-5-8-6-7/h3-4H,2H2,1H3,(H,11,12)(H,13,14);3-6H,2H2,1H3
InChIKeyISKGURGYUSTSRL-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.68
Rot. Bonds4

About 3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid

3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid (PubChem CID 158792112) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid
PubChem CID158792112
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid
SMILESCCc1cccnc1.CCc1cnc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C9H9NO4.C7H9N/c1-2-5-3-6(8(11)12)7(9(13)14)10-4-5;1-2-7-4-3-5-8-6-7/h3-4H,2H2,1H3,(H,11,12)(H,13,14);3-6H,2H2,1H3
InChIKeyISKGURGYUSTSRL-UHFFFAOYSA-N
XLogP2.68
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 19902850
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CID 19010337
3-ethylquinoline-5-carboxylic acid
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2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
5-methyl-2-(pyridin-3-ylmethyl)benzoic acid
CID 104736791
4-propyl-2-(pyridin-3-ylmethyl)pyrimidine-5-carboxylic acid
CID 62551555
azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine
CID 169427277
pyridine-2,3-dicarboxylic acid
CID 1066
2-(2-pyridin-3-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 63265060
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CID 166202894

Frequently Asked Questions

What is the IUPAC name of 3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid?
The IUPAC name of 3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid (CID 158792112) is 3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid?
The canonical SMILES for 3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid is CCc1cccnc1.CCc1cnc(C(=O)O)c(C(=O)O)c1.
What is the InChIKey of 3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid?
The InChIKey is ISKGURGYUSTSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4.C7H9N/c1-2-5-3-6(8(11)12)7(9(13)14)10-4-5;1-2-7-4-3-5-8-6-7/h3-4H,2H2,1H3,(H,11,12)(H,13,14);3-6H,2H2,1H3.
What are the key properties of 3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid?
3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpyridine;5-ethylpyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 158792112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).