methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate

C9H12N2O3 — CID 166869376

IUPACmethyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(CN)cn1
InChIInChI=1S/C9H12N2O3/c1-13-8-3-7(9(12)14-2)11-5-6(8)4-10/h3,5H,4,10H2,1-2H3
InChIKeyGYURWXQIQAIYOC-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.34
Rot. Bonds3

About methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate

methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate (PubChem CID 166869376) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate
PubChem CID166869376
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(CN)cn1
InChIInChI=1S/C9H12N2O3/c1-13-8-3-7(9(12)14-2)11-5-6(8)4-10/h3,5H,4,10H2,1-2H3
InChIKeyGYURWXQIQAIYOC-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate (CID 166869376) is methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate is COC(=O)c1cc(OC)c(CN)cn1.
What is the InChIKey of methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate?
The InChIKey is GYURWXQIQAIYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-13-8-3-7(9(12)14-2)11-5-6(8)4-10/h3,5H,4,10H2,1-2H3.
What are the key properties of methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate?
methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate is sourced from PubChem (CID 166869376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).