ethyl 4-methoxy-5-methylpyridine-3-carboxylate

C10H13NO3 — CID 133096766

IUPACethyl 4-methoxy-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(C)c1OC
InChIInChI=1S/C10H13NO3/c1-4-14-10(12)8-6-11-5-7(2)9(8)13-3/h5-6H,4H2,1-3H3
InChIKeyVJJJHYKWDAZBKJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.58
Rot. Bonds3

About ethyl 4-methoxy-5-methylpyridine-3-carboxylate

ethyl 4-methoxy-5-methylpyridine-3-carboxylate (PubChem CID 133096766) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 4-methoxy-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-5-methylpyridine-3-carboxylate
PubChem CID133096766
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethyl 4-methoxy-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(C)c1OC
InChIInChI=1S/C10H13NO3/c1-4-14-10(12)8-6-11-5-7(2)9(8)13-3/h5-6H,4H2,1-3H3
InChIKeyVJJJHYKWDAZBKJ-UHFFFAOYSA-N
XLogP1.58
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-5-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-methoxy-5-methylpyridine-3-carboxylate (CID 133096766) is ethyl 4-methoxy-5-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-5-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-methoxy-5-methylpyridine-3-carboxylate is CCOC(=O)c1cncc(C)c1OC.
What is the InChIKey of ethyl 4-methoxy-5-methylpyridine-3-carboxylate?
The InChIKey is VJJJHYKWDAZBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-4-14-10(12)8-6-11-5-7(2)9(8)13-3/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 4-methoxy-5-methylpyridine-3-carboxylate?
ethyl 4-methoxy-5-methylpyridine-3-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 133096766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).