ethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate

C10H15NO3 — CID 70055835

IUPACethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CCC(OC)=C1C
InChIInChI=1S/C10H15NO3/c1-4-14-10(12)11-7-5-6-9(13-3)8(11)2/h5,7H,4,6H2,1-3H3
InChIKeyXYYBUUUCQMSFFP-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.24
Rot. Bonds2

About ethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate

ethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate (PubChem CID 70055835) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate
PubChem CID70055835
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CCC(OC)=C1C
InChIInChI=1S/C10H15NO3/c1-4-14-10(12)11-7-5-6-9(13-3)8(11)2/h5,7H,4,6H2,1-3H3
InChIKeyXYYBUUUCQMSFFP-UHFFFAOYSA-N
XLogP2.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate?
The IUPAC name of ethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate (CID 70055835) is ethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate is CCOC(=O)N1C=CCC(OC)=C1C.
What is the InChIKey of ethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate?
The InChIKey is XYYBUUUCQMSFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-14-10(12)11-7-5-6-9(13-3)8(11)2/h5,7H,4,6H2,1-3H3.
What are the key properties of ethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate?
ethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-2-methyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 70055835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).