2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate

C14H16N4O4 — CID 159950577

IUPAC2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N.Nc1ncccc1C(=O)O
InChIInChI=1S/C8H10N2O2.C6H6N2O2/c1-2-12-8(11)6-4-3-5-10-7(6)9;7-5-4(6(9)10)2-1-3-8-5/h3-5H,2H2,1H3,(H2,9,10);1-3H,(H2,7,8)(H,9,10)
InChIKeyOCBDFROYCYFORN-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.20
Rot. Bonds3

About 2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate

2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate (PubChem CID 159950577) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate.

Molecular Properties

Compound Name2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
PubChem CID159950577
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N.Nc1ncccc1C(=O)O
InChIInChI=1S/C8H10N2O2.C6H6N2O2/c1-2-12-8(11)6-4-3-5-10-7(6)9;7-5-4(6(9)10)2-1-3-8-5/h3-5H,2H2,1H3,(H2,9,10);1-3H,(H2,7,8)(H,9,10)
InChIKeyOCBDFROYCYFORN-UHFFFAOYSA-N
XLogP1.20
TPSA141.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate
CID 123452552
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
ethyl 2-ethynylpyridine-3-carboxylate
CID 54287317
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-chloroselanylpyridine-3-carboxylate
CID 145320288
ethyl 2-methylpyridine-3-carboxylate;pyridine-3-carboxylic acid
CID 161330561
ethyl 3-aminopyridine-2-carboxylate
CID 565054
6-amino-5-ethoxycarbonylpyridine-3-carboxylic acid
CID 170903103
1-(3-ethoxycarbonyl-2-pyridinyl)imidazole-4-carboxylic acid
CID 63343432
ethyl 2-(3-aminopropyl)pyridine-3-carboxylate
CID 70281941

Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate?
The IUPAC name of 2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate (CID 159950577) is 2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate.
What is the SMILES notation for 2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate?
The canonical SMILES for 2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate is CCOC(=O)c1cccnc1N.Nc1ncccc1C(=O)O.
What is the InChIKey of 2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate?
The InChIKey is OCBDFROYCYFORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C6H6N2O2/c1-2-12-8(11)6-4-3-5-10-7(6)9;7-5-4(6(9)10)2-1-3-8-5/h3-5H,2H2,1H3,(H2,9,10);1-3H,(H2,7,8)(H,9,10).
What are the key properties of 2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate?
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate has a molecular weight of 304.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate is sourced from PubChem (CID 159950577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).