6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid

C9H10N2O4 — CID 170903103

IUPAC6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid
SMILESCCOC(=O)c1cc(C(=O)O)cnc1N
InChIInChI=1S/C9H10N2O4/c1-2-15-9(14)6-3-5(8(12)13)4-11-7(6)10/h3-4H,2H2,1H3,(H2,10,11)(H,12,13)
InChIKeySLPDJYJBQDVTNM-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.54
Rot. Bonds3

About 6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid

6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid (PubChem CID 170903103) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid
PubChem CID170903103
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid
SMILESCCOC(=O)c1cc(C(=O)O)cnc1N
InChIInChI=1S/C9H10N2O4/c1-2-15-9(14)6-3-5(8(12)13)4-11-7(6)10/h3-4H,2H2,1H3,(H2,10,11)(H,12,13)
InChIKeySLPDJYJBQDVTNM-UHFFFAOYSA-N
XLogP0.54
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-5-ethylpyridine-3-carboxylate
CID 155887465
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
ethyl 6-amino-5-iodopyridine-3-carboxylate
CID 67057368
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
4-ethoxycarbonylbenzene-1,3-dicarboxylic acid;hydrate
CID 174539345
5-amino-6-ethoxypyridine-3-carboxylic acid
CID 81439997
ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate
CID 53419442
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577
6-amino-5-(4-ethoxy-4-oxobut-1-ynyl)pyridine-3-carboxylic acid
CID 170471610
6-ethoxycarbonyl-5-ethylsulfanylpyridine-3-carboxylic acid
CID 122462154
5,6-diaminopyridine-3-carboxylic acid
CID 22476298
ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate
CID 70396007

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid?
The IUPAC name of 6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid (CID 170903103) is 6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid is CCOC(=O)c1cc(C(=O)O)cnc1N.
What is the InChIKey of 6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid?
The InChIKey is SLPDJYJBQDVTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-2-15-9(14)6-3-5(8(12)13)4-11-7(6)10/h3-4H,2H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of 6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid?
6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid is sourced from PubChem (CID 170903103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).