2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid

C15H15NO2 — CID 107515583

IUPAC2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid
SMILESCc1ccc(-c2cc(C(=O)O)c(C)cc2C)cn1
InChIInChI=1S/C15H15NO2/c1-9-6-10(2)14(15(17)18)7-13(9)12-5-4-11(3)16-8-12/h4-8H,1-3H3,(H,17,18)
InChIKeyRCRMWDYPHPBVEQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.37
Rot. Bonds2

About 2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid

2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid (PubChem CID 107515583) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid
PubChem CID107515583
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid
SMILESCc1ccc(-c2cc(C(=O)O)c(C)cc2C)cn1
InChIInChI=1S/C15H15NO2/c1-9-6-10(2)14(15(17)18)7-13(9)12-5-4-11(3)16-8-12/h4-8H,1-3H3,(H,17,18)
InChIKeyRCRMWDYPHPBVEQ-UHFFFAOYSA-N
XLogP3.37
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-5-pyridin-4-ylbenzoic acid
CID 107515528
2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol
CID 123421037
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
CID 162313209
CID 162313209
5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid
CID 107515684
6-methyl-4-phenylpyridine-3-carboxylic acid
CID 82113463
5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
CID 107515552
5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid
CID 79684046
2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid
CID 64984855
2,4-dimethyl-5-[4-(trifluoromethyl)-3-pyridinyl]benzoic acid
CID 107515751
bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt
CID 176549318
4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
CID 154692263

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid?
The IUPAC name of 2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid (CID 107515583) is 2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid.
What is the SMILES notation for 2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid?
The canonical SMILES for 2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid is Cc1ccc(-c2cc(C(=O)O)c(C)cc2C)cn1.
What is the InChIKey of 2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid?
The InChIKey is RCRMWDYPHPBVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-9-6-10(2)14(15(17)18)7-13(9)12-5-4-11(3)16-8-12/h4-8H,1-3H3,(H,17,18).
What are the key properties of 2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid?
2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid is sourced from PubChem (CID 107515583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).