2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid

C16H17NO2 — CID 116532989

IUPAC2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid
SMILESCCc1ccc(-c2ccc(C(=O)O)c(CC)n2)cc1
InChIInChI=1S/C16H17NO2/c1-3-11-5-7-12(8-6-11)15-10-9-13(16(18)19)14(4-2)17-15/h5-10H,3-4H2,1-2H3,(H,18,19)
InChIKeyOPVFIHMMOICTEW-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.57
Rot. Bonds4

About 2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid

2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid (PubChem CID 116532989) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid
PubChem CID116532989
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid
SMILESCCc1ccc(-c2ccc(C(=O)O)c(CC)n2)cc1
InChIInChI=1S/C16H17NO2/c1-3-11-5-7-12(8-6-11)15-10-9-13(16(18)19)14(4-2)17-15/h5-10H,3-4H2,1-2H3,(H,18,19)
InChIKeyOPVFIHMMOICTEW-UHFFFAOYSA-N
XLogP3.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid (CID 116532989) is 2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid is CCc1ccc(-c2ccc(C(=O)O)c(CC)n2)cc1.
What is the InChIKey of 2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid?
The InChIKey is OPVFIHMMOICTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-11-5-7-12(8-6-11)15-10-9-13(16(18)19)14(4-2)17-15/h5-10H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid?
2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 116532989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).