2,4-dimethyl-5-pyridin-4-ylbenzoic acid

C14H13NO2 — CID 107515528

IUPAC2,4-dimethyl-5-pyridin-4-ylbenzoic acid
SMILESCc1cc(C)c(-c2ccncc2)cc1C(=O)O
InChIInChI=1S/C14H13NO2/c1-9-7-10(2)13(14(16)17)8-12(9)11-3-5-15-6-4-11/h3-8H,1-2H3,(H,16,17)
InChIKeyKAIIHUDIAPGONY-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.06
Rot. Bonds2

About 2,4-dimethyl-5-pyridin-4-ylbenzoic acid

2,4-dimethyl-5-pyridin-4-ylbenzoic acid (PubChem CID 107515528) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2,4-dimethyl-5-pyridin-4-ylbenzoic acid.

Molecular Properties

Compound Name2,4-dimethyl-5-pyridin-4-ylbenzoic acid
PubChem CID107515528
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2,4-dimethyl-5-pyridin-4-ylbenzoic acid
SMILESCc1cc(C)c(-c2ccncc2)cc1C(=O)O
InChIInChI=1S/C14H13NO2/c1-9-7-10(2)13(14(16)17)8-12(9)11-3-5-15-6-4-11/h3-8H,1-2H3,(H,16,17)
InChIKeyKAIIHUDIAPGONY-UHFFFAOYSA-N
XLogP3.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dipyridin-4-ylterephthalic acid
CID 163197795
2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid
CID 107515583
bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
CID 162313209
CID 162313209
2,4-dimethyl-5-[4-(trifluoromethyl)-3-pyridinyl]benzoic acid
CID 107515751
4-methyl-5-pyridin-4-ylpyridine-3-carboxylic acid
CID 140683950
5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
CID 107515552
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
5-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzoic acid
CID 107515684
4-pyridin-4-ylthiophene-3-carboxylic acid
CID 83235084
2-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-2-yl)benzoic acid
CID 18939010
1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid
CID 91672243

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-pyridin-4-ylbenzoic acid?
The IUPAC name of 2,4-dimethyl-5-pyridin-4-ylbenzoic acid (CID 107515528) is 2,4-dimethyl-5-pyridin-4-ylbenzoic acid.
What is the SMILES notation for 2,4-dimethyl-5-pyridin-4-ylbenzoic acid?
The canonical SMILES for 2,4-dimethyl-5-pyridin-4-ylbenzoic acid is Cc1cc(C)c(-c2ccncc2)cc1C(=O)O.
What is the InChIKey of 2,4-dimethyl-5-pyridin-4-ylbenzoic acid?
The InChIKey is KAIIHUDIAPGONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9-7-10(2)13(14(16)17)8-12(9)11-3-5-15-6-4-11/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2,4-dimethyl-5-pyridin-4-ylbenzoic acid?
2,4-dimethyl-5-pyridin-4-ylbenzoic acid has a molecular weight of 227.26 g/mol, XLogP of 3.06, 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-pyridin-4-ylbenzoic acid is sourced from PubChem (CID 107515528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).