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

C7H8N2O4 — CID 54707980

IUPACmethyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(=O)[nH]c1N
InChIInChI=1S/C7H8N2O4/c1-13-7(12)5-3(10)2-4(11)9-6(5)8/h2H,1H3,(H4,8,9,10,11)
InChIKeyPYZCBWRPNDZMEJ-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.55
Rot. Bonds1

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

methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 54707980) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID54707980
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Namemethyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(=O)[nH]c1N
InChIInChI=1S/C7H8N2O4/c1-13-7(12)5-3(10)2-4(11)9-6(5)8/h2H,1H3,(H4,8,9,10,11)
InChIKeyPYZCBWRPNDZMEJ-UHFFFAOYSA-N
XLogP-0.55
TPSA105.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 54707980) is methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c(O)cc(=O)[nH]c1N.
What is the InChIKey of methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is PYZCBWRPNDZMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-13-7(12)5-3(10)2-4(11)9-6(5)8/h2H,1H3,(H4,8,9,10,11).
What are the key properties of methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 184.15 g/mol, XLogP of -0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54707980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).