ethyl 2-amino-5-methoxypyridine-3-carboxylate

C9H12N2O3 — CID 72942758

IUPACethyl 2-amino-5-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cc(OC)cnc1N
InChIInChI=1S/C9H12N2O3/c1-3-14-9(12)7-4-6(13-2)5-11-8(7)10/h4-5H,3H2,1-2H3,(H2,10,11)
InChIKeyVZUZIPKUCLBVEZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.85
Rot. Bonds3

About ethyl 2-amino-5-methoxypyridine-3-carboxylate

ethyl 2-amino-5-methoxypyridine-3-carboxylate (PubChem CID 72942758) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 2-amino-5-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-methoxypyridine-3-carboxylate
PubChem CID72942758
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Nameethyl 2-amino-5-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cc(OC)cnc1N
InChIInChI=1S/C9H12N2O3/c1-3-14-9(12)7-4-6(13-2)5-11-8(7)10/h4-5H,3H2,1-2H3,(H2,10,11)
InChIKeyVZUZIPKUCLBVEZ-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-methoxypyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-methoxypyridine-3-carboxylate (CID 72942758) is ethyl 2-amino-5-methoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-methoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-methoxypyridine-3-carboxylate is CCOC(=O)c1cc(OC)cnc1N.
What is the InChIKey of ethyl 2-amino-5-methoxypyridine-3-carboxylate?
The InChIKey is VZUZIPKUCLBVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-14-9(12)7-4-6(13-2)5-11-8(7)10/h4-5H,3H2,1-2H3,(H2,10,11).
What are the key properties of ethyl 2-amino-5-methoxypyridine-3-carboxylate?
ethyl 2-amino-5-methoxypyridine-3-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-methoxypyridine-3-carboxylate is sourced from PubChem (CID 72942758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).