2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid

C15H15NO3 — CID 113378245

IUPAC2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(OC(C)c2ccccc2)n1
InChIInChI=1S/C15H15NO3/c1-10-8-13(15(17)18)9-14(16-10)19-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,18)
InChIKeyVVBKIBNEWFXTNG-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.23
Rot. Bonds4

About 2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid

2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid (PubChem CID 113378245) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid
PubChem CID113378245
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(OC(C)c2ccccc2)n1
InChIInChI=1S/C15H15NO3/c1-10-8-13(15(17)18)9-14(16-10)19-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,18)
InChIKeyVVBKIBNEWFXTNG-UHFFFAOYSA-N
XLogP3.23
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid (CID 113378245) is 2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(OC(C)c2ccccc2)n1.
What is the InChIKey of 2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid?
The InChIKey is VVBKIBNEWFXTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-8-13(15(17)18)9-14(16-10)19-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,18).
What are the key properties of 2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid?
2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-phenylethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 113378245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).