methyl 5-amino-6-methoxypyridine-2-carboxylate

C8H10N2O3 — CID 22565280

IUPACmethyl 5-amino-6-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(OC)n1
InChIInChI=1S/C8H10N2O3/c1-12-7-5(9)3-4-6(10-7)8(11)13-2/h3-4H,9H2,1-2H3
InChIKeyAQZYCGSIBUTTRU-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.46
Rot. Bonds2

About methyl 5-amino-6-methoxypyridine-2-carboxylate

methyl 5-amino-6-methoxypyridine-2-carboxylate (PubChem CID 22565280) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 5-amino-6-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-methoxypyridine-2-carboxylate
PubChem CID22565280
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 5-amino-6-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(OC)n1
InChIInChI=1S/C8H10N2O3/c1-12-7-5(9)3-4-6(10-7)8(11)13-2/h3-4H,9H2,1-2H3
InChIKeyAQZYCGSIBUTTRU-UHFFFAOYSA-N
XLogP0.46
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-methoxypyridine-2-carboxylate (CID 22565280) is methyl 5-amino-6-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-methoxypyridine-2-carboxylate is COC(=O)c1ccc(N)c(OC)n1.
What is the InChIKey of methyl 5-amino-6-methoxypyridine-2-carboxylate?
The InChIKey is AQZYCGSIBUTTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-12-7-5(9)3-4-6(10-7)8(11)13-2/h3-4H,9H2,1-2H3.
What are the key properties of methyl 5-amino-6-methoxypyridine-2-carboxylate?
methyl 5-amino-6-methoxypyridine-2-carboxylate has a molecular weight of 182.18 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-methoxypyridine-2-carboxylate is sourced from PubChem (CID 22565280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).