ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate

C8H10N2O4 — CID 71434385

IUPACethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c(O)c1N
InChIInChI=1S/C8H10N2O4/c1-2-14-8(13)4-3-5(11)10-7(12)6(4)9/h3H,2,9H2,1H3,(H2,10,11,12)
InChIKeyKDUJFDWMSRAUED-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.16
Rot. Bonds2

About ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate

ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 71434385) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
PubChem CID71434385
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c(O)c1N
InChIInChI=1S/C8H10N2O4/c1-2-14-8(13)4-3-5(11)10-7(12)6(4)9/h3H,2,9H2,1H3,(H2,10,11,12)
InChIKeyKDUJFDWMSRAUED-UHFFFAOYSA-N
XLogP-0.16
TPSA105.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate (CID 71434385) is ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate is CCOC(=O)c1cc(=O)[nH]c(O)c1N.
What is the InChIKey of ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is KDUJFDWMSRAUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-14-8(13)4-3-5(11)10-7(12)6(4)9/h3H,2,9H2,1H3,(H2,10,11,12).
What are the key properties of ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 198.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 71434385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).