ethyl 2-methyl-6-phenylpyridine-3-carboxylate

C15H15NO2 — CID 5092700

IUPACethyl 2-methyl-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccccc2)nc1C
InChIInChI=1S/C15H15NO2/c1-3-18-15(17)13-9-10-14(16-11(13)2)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyMZYVLAQGPZYJJQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.23
Rot. Bonds3

About ethyl 2-methyl-6-phenylpyridine-3-carboxylate

ethyl 2-methyl-6-phenylpyridine-3-carboxylate (PubChem CID 5092700) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 2-methyl-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-phenylpyridine-3-carboxylate
PubChem CID5092700
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Nameethyl 2-methyl-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccccc2)nc1C
InChIInChI=1S/C15H15NO2/c1-3-18-15(17)13-9-10-14(16-11(13)2)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyMZYVLAQGPZYJJQ-UHFFFAOYSA-N
XLogP3.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-phenylpyridine-3-carboxylate (CID 5092700) is ethyl 2-methyl-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-phenylpyridine-3-carboxylate is CCOC(=O)c1ccc(-c2ccccc2)nc1C.
What is the InChIKey of ethyl 2-methyl-6-phenylpyridine-3-carboxylate?
The InChIKey is MZYVLAQGPZYJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-18-15(17)13-9-10-14(16-11(13)2)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-6-phenylpyridine-3-carboxylate?
ethyl 2-methyl-6-phenylpyridine-3-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 5092700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).