2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid

C15H15NO2 — CID 117001562

IUPAC2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid
SMILESCc1cccc(-c2ccc(CC(=O)O)cn2)c1C
InChIInChI=1S/C15H15NO2/c1-10-4-3-5-13(11(10)2)14-7-6-12(9-16-14)8-15(17)18/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyBGILKCXSOTVXOU-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.99
Rot. Bonds3

About 2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid

2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid (PubChem CID 117001562) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid
PubChem CID117001562
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid
SMILESCc1cccc(-c2ccc(CC(=O)O)cn2)c1C
InChIInChI=1S/C15H15NO2/c1-10-4-3-5-13(11(10)2)14-7-6-12(9-16-14)8-15(17)18/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyBGILKCXSOTVXOU-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-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid (CID 117001562) is 2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid is Cc1cccc(-c2ccc(CC(=O)O)cn2)c1C.
What is the InChIKey of 2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid?
The InChIKey is BGILKCXSOTVXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-4-3-5-13(11(10)2)14-7-6-12(9-16-14)8-15(17)18/h3-7,9H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid?
2-[6-(2,3-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-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 117001562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).