methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate

C9H12N2O3 — CID 70098483

IUPACmethyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate
SMILESCOCc1ccc(N)c(C(=O)OC)n1
InChIInChI=1S/C9H12N2O3/c1-13-5-6-3-4-7(10)8(11-6)9(12)14-2/h3-4H,5,10H2,1-2H3
InChIKeyIFRJIGXKGKQHHP-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.60
Rot. Bonds3

About methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate

methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate (PubChem CID 70098483) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate
PubChem CID70098483
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate
SMILESCOCc1ccc(N)c(C(=O)OC)n1
InChIInChI=1S/C9H12N2O3/c1-13-5-6-3-4-7(10)8(11-6)9(12)14-2/h3-4H,5,10H2,1-2H3
InChIKeyIFRJIGXKGKQHHP-UHFFFAOYSA-N
XLogP0.60
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate (CID 70098483) is methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate is COCc1ccc(N)c(C(=O)OC)n1.
What is the InChIKey of methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate?
The InChIKey is IFRJIGXKGKQHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-13-5-6-3-4-7(10)8(11-6)9(12)14-2/h3-4H,5,10H2,1-2H3.
What are the key properties of methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate?
methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate is sourced from PubChem (CID 70098483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).