ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate

C18H22N2O4 — CID 158456566

IUPACethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C)ccn1.CCOC(=O)c1ccc(C)cn1
InChIInChI=1S/2C9H11NO2/c1-3-12-9(11)8-6-7(2)4-5-10-8;1-3-12-9(11)8-5-4-7(2)6-10-8/h2*4-6H,3H2,1-2H3
InChIKeyHEQHYXYLEOEGDE-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.13
Rot. Bonds4

About ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate

ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate (PubChem CID 158456566) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate
PubChem CID158456566
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nameethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C)ccn1.CCOC(=O)c1ccc(C)cn1
InChIInChI=1S/2C9H11NO2/c1-3-12-9(11)8-6-7(2)4-5-10-8;1-3-12-9(11)8-5-4-7(2)6-10-8/h2*4-6H,3H2,1-2H3
InChIKeyHEQHYXYLEOEGDE-UHFFFAOYSA-N
XLogP3.13
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide
CID 160549181
methyl 4-methylpyridine-2-carboxylate
CID 10920693
ethyl 5-(4-methylanilino)pyridine-2-carboxylate
CID 155674301
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
ethyl pyridine-2-carboxylate
CID 17307
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
ethyl 5-methylsulfanylpyridine-2-carboxylate
CID 58540699
ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate
CID 162649952
heptakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl 5-ethylpyridine-2-carboxylate;ethyl pyridine-2-carboxylate;5-ethylpyridine-2-carboxylic acid;2-methoxycarbonylpyridine-4-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid;pyridine-2-carboxylic acid;bis(pyridine-2,4-dicarboxylic acid)
CID 162168400
ethyl 1-(4-methyl-2-pyridinyl)triazole-4-carboxylate
CID 15459344
ethyl 1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylate
CID 125453403

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate?
The IUPAC name of ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate (CID 158456566) is ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate?
The canonical SMILES for ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate is CCOC(=O)c1cc(C)ccn1.CCOC(=O)c1ccc(C)cn1.
What is the InChIKey of ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate?
The InChIKey is HEQHYXYLEOEGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11NO2/c1-3-12-9(11)8-6-7(2)4-5-10-8;1-3-12-9(11)8-5-4-7(2)6-10-8/h2*4-6H,3H2,1-2H3.
What are the key properties of ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate?
ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate is sourced from PubChem (CID 158456566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).