5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid

C15H15NO2 — CID 70362739

IUPAC5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid
SMILESCCc1cnc(-c2ccccc2)c(C(=O)O)c1C
InChIInChI=1S/C15H15NO2/c1-3-11-9-16-14(12-7-5-4-6-8-12)13(10(11)2)15(17)18/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyZABTYTWOKVOZHD-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.32
Rot. Bonds3

About 5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid

5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid (PubChem CID 70362739) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid
PubChem CID70362739
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid
SMILESCCc1cnc(-c2ccccc2)c(C(=O)O)c1C
InChIInChI=1S/C15H15NO2/c1-3-11-9-16-14(12-7-5-4-6-8-12)13(10(11)2)15(17)18/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyZABTYTWOKVOZHD-UHFFFAOYSA-N
XLogP3.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid (CID 70362739) is 5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid is CCc1cnc(-c2ccccc2)c(C(=O)O)c1C.
What is the InChIKey of 5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid?
The InChIKey is ZABTYTWOKVOZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-11-9-16-14(12-7-5-4-6-8-12)13(10(11)2)15(17)18/h4-9H,3H2,1-2H3,(H,17,18).
What are the key properties of 5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid?
5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 70362739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).