7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid

C17H16N2O3 — CID 22025176

IUPAC7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid
SMILESCc1cc(Oc2cccc3cc(C(=O)O)n(C)c23)cc(C)n1
InChIInChI=1S/C17H16N2O3/c1-10-7-13(8-11(2)18-10)22-15-6-4-5-12-9-14(17(20)21)19(3)16(12)15/h4-9H,1-3H3,(H,20,21)
InChIKeyOYGLJVHVNKTHCI-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.68
Rot. Bonds3

About 7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid

7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid (PubChem CID 22025176) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid
PubChem CID22025176
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid
SMILESCc1cc(Oc2cccc3cc(C(=O)O)n(C)c23)cc(C)n1
InChIInChI=1S/C17H16N2O3/c1-10-7-13(8-11(2)18-10)22-15-6-4-5-12-9-14(17(20)21)19(3)16(12)15/h4-9H,1-3H3,(H,20,21)
InChIKeyOYGLJVHVNKTHCI-UHFFFAOYSA-N
XLogP3.68
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid?
The IUPAC name of 7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid (CID 22025176) is 7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid?
The canonical SMILES for 7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid is Cc1cc(Oc2cccc3cc(C(=O)O)n(C)c23)cc(C)n1.
What is the InChIKey of 7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid?
The InChIKey is OYGLJVHVNKTHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10-7-13(8-11(2)18-10)22-15-6-4-5-12-9-14(17(20)21)19(3)16(12)15/h4-9H,1-3H3,(H,20,21).
What are the key properties of 7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid?
7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-dimethyl-4-pyridinyl)oxy]-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 22025176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).