1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid

C12H11N3O4 — CID 63343432

IUPAC1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid
SMILESCCOC(=O)c1cccnc1-n1cnc(C(=O)O)c1
InChIInChI=1S/C12H11N3O4/c1-2-19-12(18)8-4-3-5-13-10(8)15-6-9(11(16)17)14-7-15/h3-7H,2H2,1H3,(H,16,17)
InChIKeyLXHYAIPZZBGSTB-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.14
Rot. Bonds4

About 1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid

1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid (PubChem CID 63343432) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid
PubChem CID63343432
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid
SMILESCCOC(=O)c1cccnc1-n1cnc(C(=O)O)c1
InChIInChI=1S/C12H11N3O4/c1-2-19-12(18)8-4-3-5-13-10(8)15-6-9(11(16)17)14-7-15/h3-7H,2H2,1H3,(H,16,17)
InChIKeyLXHYAIPZZBGSTB-UHFFFAOYSA-N
XLogP1.14
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-formyl-3-methylpyrazol-1-yl)pyridine-3-carboxylate
CID 134954080
ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
CID 71741541
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577
ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate
CID 123284983
2-ethoxyethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55569349
ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate
CID 133468930
ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate
CID 67167942
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 1-[3-(acetyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate
CID 141294210
ethyl 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 63309811
ethyl 2-indazol-1-ylpyridine-3-carboxylate
CID 66720157

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid (CID 63343432) is 1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid is CCOC(=O)c1cccnc1-n1cnc(C(=O)O)c1.
What is the InChIKey of 1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid?
The InChIKey is LXHYAIPZZBGSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-2-19-12(18)8-4-3-5-13-10(8)15-6-9(11(16)17)14-7-15/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid?
1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 63343432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).