ethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate

C16H17NO2 — CID 11414168

IUPACethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc(C)nc1C
InChIInChI=1S/C16H17NO2/c1-4-19-16(18)15-12(3)17-11(2)10-14(15)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3
InChIKeyOQVGXASMCWLVHD-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.54
Rot. Bonds3

About ethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate

ethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate (PubChem CID 11414168) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate
PubChem CID11414168
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Nameethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc(C)nc1C
InChIInChI=1S/C16H17NO2/c1-4-19-16(18)15-12(3)17-11(2)10-14(15)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3
InChIKeyOQVGXASMCWLVHD-UHFFFAOYSA-N
XLogP3.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate (CID 11414168) is ethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)cc(C)nc1C.
What is the InChIKey of ethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate?
The InChIKey is OQVGXASMCWLVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-4-19-16(18)15-12(3)17-11(2)10-14(15)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate?
ethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate has a molecular weight of 255.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-4-phenylpyridine-3-carboxylate is sourced from PubChem (CID 11414168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).