3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid

C15H15NO3 — CID 107525139

IUPAC3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid
SMILESCOc1cc(C)c(-c2cccnc2C(=O)O)cc1C
InChIInChI=1S/C15H15NO3/c1-9-8-13(19-3)10(2)7-12(9)11-5-4-6-16-14(11)15(17)18/h4-8H,1-3H3,(H,17,18)
InChIKeyMQXJGUZHJFXYAB-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.07
Rot. Bonds3

About 3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid

3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid (PubChem CID 107525139) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid
PubChem CID107525139
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid
SMILESCOc1cc(C)c(-c2cccnc2C(=O)O)cc1C
InChIInChI=1S/C15H15NO3/c1-9-8-13(19-3)10(2)7-12(9)11-5-4-6-16-14(11)15(17)18/h4-8H,1-3H3,(H,17,18)
InChIKeyMQXJGUZHJFXYAB-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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Related Compounds

3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid
CID 107525186
2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid
CID 82299850
3-(4-methylnaphthalen-1-yl)pyridine-2-carboxylic acid
CID 107525274
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
3-(2-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
CID 53222818
4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid
CID 107989851
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 79407875
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
3-phenylpyridine-2-carboxylic acid
CID 2762789
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
3-(2,5-diethylphenyl)pyridine-2-carboxylic acid
CID 107525268
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid (CID 107525139) is 3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid is COc1cc(C)c(-c2cccnc2C(=O)O)cc1C.
What is the InChIKey of 3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid?
The InChIKey is MQXJGUZHJFXYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-8-13(19-3)10(2)7-12(9)11-5-4-6-16-14(11)15(17)18/h4-8H,1-3H3,(H,17,18).
What are the key properties of 3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid?
3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-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 3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 107525139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).