ethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate

C8H10N2O3 — CID 70330960

IUPACethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c(=O)c(N)c1
InChIInChI=1S/C8H10N2O3/c1-2-13-8(12)5-3-6(9)7(11)10-4-5/h3-4H,2,9H2,1H3,(H,10,11)
InChIKeyUAAFOXHRBBHZLC-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.13
Rot. Bonds2

About ethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate

ethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 70330960) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is ethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate
PubChem CID70330960
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Nameethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c(=O)c(N)c1
InChIInChI=1S/C8H10N2O3/c1-2-13-8(12)5-3-6(9)7(11)10-4-5/h3-4H,2,9H2,1H3,(H,10,11)
InChIKeyUAAFOXHRBBHZLC-UHFFFAOYSA-N
XLogP0.13
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate (CID 70330960) is ethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c[nH]c(=O)c(N)c1.
What is the InChIKey of ethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is UAAFOXHRBBHZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-13-8(12)5-3-6(9)7(11)10-4-5/h3-4H,2,9H2,1H3,(H,10,11).
What are the key properties of ethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate?
ethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 182.18 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 70330960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).