ethyl 5-methyl-2-phenylpyridine-3-carboxylate

C15H15NO2 — CID 11849906

IUPACethyl 5-methyl-2-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)cnc1-c1ccccc1
InChIInChI=1S/C15H15NO2/c1-3-18-15(17)13-9-11(2)10-16-14(13)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyKZAALGBLIRXAFD-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.23
Rot. Bonds3

About ethyl 5-methyl-2-phenylpyridine-3-carboxylate

ethyl 5-methyl-2-phenylpyridine-3-carboxylate (PubChem CID 11849906) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 5-methyl-2-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-phenylpyridine-3-carboxylate
PubChem CID11849906
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Nameethyl 5-methyl-2-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)cnc1-c1ccccc1
InChIInChI=1S/C15H15NO2/c1-3-18-15(17)13-9-11(2)10-16-14(13)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyKZAALGBLIRXAFD-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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Related Compounds

ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 4-phenylpyrimidine-5-carboxylate;4-phenylpyrimidine-5-carboxylic acid
CID 159272594
5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride
CID 131710706
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 3-phenyl-1,2-oxazole-4-carboxylate
CID 871048
ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 165350273
4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate
CID 21441541
ethyl 2-cyano-5-methylpyridine-3-carboxylate
CID 117275747
ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
CID 116533372
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid
CID 83917075

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-phenylpyridine-3-carboxylate (CID 11849906) is ethyl 5-methyl-2-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-phenylpyridine-3-carboxylate is CCOC(=O)c1cc(C)cnc1-c1ccccc1.
What is the InChIKey of ethyl 5-methyl-2-phenylpyridine-3-carboxylate?
The InChIKey is KZAALGBLIRXAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-18-15(17)13-9-11(2)10-16-14(13)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-phenylpyridine-3-carboxylate?
ethyl 5-methyl-2-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 5-methyl-2-phenylpyridine-3-carboxylate is sourced from PubChem (CID 11849906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).