2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid

C15H15NO3 — CID 82299850

IUPAC2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid
SMILESCOc1cc(C)c(-c2cc(C(=O)O)ccn2)cc1C
InChIInChI=1S/C15H15NO3/c1-9-7-14(19-3)10(2)6-12(9)13-8-11(15(17)18)4-5-16-13/h4-8H,1-3H3,(H,17,18)
InChIKeyJUSPKKAUCKZJNQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.07
Rot. Bonds3

About 2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid

2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid (PubChem CID 82299850) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid
PubChem CID82299850
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid
SMILESCOc1cc(C)c(-c2cc(C(=O)O)ccn2)cc1C
InChIInChI=1S/C15H15NO3/c1-9-7-14(19-3)10(2)6-12(9)13-8-11(15(17)18)4-5-16-13/h4-8H,1-3H3,(H,17,18)
InChIKeyJUSPKKAUCKZJNQ-UHFFFAOYSA-N
XLogP3.07
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid (CID 82299850) is 2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid is COc1cc(C)c(-c2cc(C(=O)O)ccn2)cc1C.
What is the InChIKey of 2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid?
The InChIKey is JUSPKKAUCKZJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-7-14(19-3)10(2)6-12(9)13-8-11(15(17)18)4-5-16-13/h4-8H,1-3H3,(H,17,18).
What are the key properties of 2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid?
2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 82299850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).