methyl 6-amino-5-hydroxypyridine-3-carboxylate

C7H8N2O3 — CID 71433325

IUPACmethyl 6-amino-5-hydroxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(O)c1
InChIInChI=1S/C7H8N2O3/c1-12-7(11)4-2-5(10)6(8)9-3-4/h2-3,10H,1H3,(H2,8,9)
InChIKeyJZZUMLPVFMKHKC-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.16
Rot. Bonds1

About methyl 6-amino-5-hydroxypyridine-3-carboxylate

methyl 6-amino-5-hydroxypyridine-3-carboxylate (PubChem CID 71433325) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is methyl 6-amino-5-hydroxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-hydroxypyridine-3-carboxylate
PubChem CID71433325
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Namemethyl 6-amino-5-hydroxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(O)c1
InChIInChI=1S/C7H8N2O3/c1-12-7(11)4-2-5(10)6(8)9-3-4/h2-3,10H,1H3,(H2,8,9)
InChIKeyJZZUMLPVFMKHKC-UHFFFAOYSA-N
XLogP0.16
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-hydroxypyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-hydroxypyridine-3-carboxylate (CID 71433325) is methyl 6-amino-5-hydroxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-hydroxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-hydroxypyridine-3-carboxylate is COC(=O)c1cnc(N)c(O)c1.
What is the InChIKey of methyl 6-amino-5-hydroxypyridine-3-carboxylate?
The InChIKey is JZZUMLPVFMKHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-12-7(11)4-2-5(10)6(8)9-3-4/h2-3,10H,1H3,(H2,8,9).
What are the key properties of methyl 6-amino-5-hydroxypyridine-3-carboxylate?
methyl 6-amino-5-hydroxypyridine-3-carboxylate has a molecular weight of 168.15 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-hydroxypyridine-3-carboxylate is sourced from PubChem (CID 71433325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).