ethyl 6-methylpyridine-2-carboxylate

C9H11NO2 — CID 564597

IUPACethyl 6-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C)n1
InChIInChI=1S/C9H11NO2/c1-3-12-9(11)8-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3
InChIKeyFMSXHQBTRLUYHP-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.57
Rot. Bonds2

About ethyl 6-methylpyridine-2-carboxylate

ethyl 6-methylpyridine-2-carboxylate (PubChem CID 564597) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is ethyl 6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methylpyridine-2-carboxylate
PubChem CID564597
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Nameethyl 6-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C)n1
InChIInChI=1S/C9H11NO2/c1-3-12-9(11)8-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3
InChIKeyFMSXHQBTRLUYHP-UHFFFAOYSA-N
XLogP1.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methylpyridine-2-carboxylate?
The IUPAC name of ethyl 6-methylpyridine-2-carboxylate (CID 564597) is ethyl 6-methylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-methylpyridine-2-carboxylate?
The canonical SMILES for ethyl 6-methylpyridine-2-carboxylate is CCOC(=O)c1cccc(C)n1.
What is the InChIKey of ethyl 6-methylpyridine-2-carboxylate?
The InChIKey is FMSXHQBTRLUYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-12-9(11)8-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 6-methylpyridine-2-carboxylate?
ethyl 6-methylpyridine-2-carboxylate has a molecular weight of 165.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methylpyridine-2-carboxylate is sourced from PubChem (CID 564597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).