2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid

C15H15NO2 — CID 117001590

IUPAC2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid
SMILESCc1ccc(-c2ncccc2CC(=O)O)cc1C
InChIInChI=1S/C15H15NO2/c1-10-5-6-13(8-11(10)2)15-12(9-14(17)18)4-3-7-16-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyYFUBRJUECPEKOE-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.99
Rot. Bonds3

About 2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid

2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid (PubChem CID 117001590) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid
PubChem CID117001590
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid
SMILESCc1ccc(-c2ncccc2CC(=O)O)cc1C
InChIInChI=1S/C15H15NO2/c1-10-5-6-13(8-11(10)2)15-12(9-14(17)18)4-3-7-16-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyYFUBRJUECPEKOE-UHFFFAOYSA-N
XLogP2.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid (CID 117001590) is 2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid is Cc1ccc(-c2ncccc2CC(=O)O)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid?
The InChIKey is YFUBRJUECPEKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-5-6-13(8-11(10)2)15-12(9-14(17)18)4-3-7-16-15/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid?
2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid has a molecular weight of 241.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 117001590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).