ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate

C14H14N2O2 — CID 112561966

IUPACethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccnc2)nc1C
InChIInChI=1S/C14H14N2O2/c1-3-18-14(17)12-6-7-13(16-10(12)2)11-5-4-8-15-9-11/h4-9H,3H2,1-2H3
InChIKeyJUIBOSOXEGJDBY-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.63
Rot. Bonds3

About ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate

ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate (PubChem CID 112561966) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
PubChem CID112561966
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Nameethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccnc2)nc1C
InChIInChI=1S/C14H14N2O2/c1-3-18-14(17)12-6-7-13(16-10(12)2)11-5-4-8-15-9-11/h4-9H,3H2,1-2H3
InChIKeyJUIBOSOXEGJDBY-UHFFFAOYSA-N
XLogP2.63
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 6-(3,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917484
ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
CID 53404665
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317829
ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate
CID 115917495
ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 753891
ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate
CID 46317979
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55463613
ethyl 3-pyridin-3-yl-1H-1,2,4-triazole-5-carboxylate
CID 63381274
ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide
CID 71756591

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate (CID 112561966) is ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cccnc2)nc1C.
What is the InChIKey of ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate?
The InChIKey is JUIBOSOXEGJDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-18-14(17)12-6-7-13(16-10(12)2)11-5-4-8-15-9-11/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate?
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate has a molecular weight of 242.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate is sourced from PubChem (CID 112561966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).