2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid

C17H19NO3 — CID 116533920

IUPAC2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccccc1-c1ccc(C(=O)O)c(C(C)(C)C)n1
InChIInChI=1S/C17H19NO3/c1-17(2,3)15-12(16(19)20)9-10-13(18-15)11-7-5-6-8-14(11)21-4/h5-10H,1-4H3,(H,19,20)
InChIKeyRVPUZYXUILXZTL-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.75
Rot. Bonds3

About 2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid

2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 116533920) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid
PubChem CID116533920
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccccc1-c1ccc(C(=O)O)c(C(C)(C)C)n1
InChIInChI=1S/C17H19NO3/c1-17(2,3)15-12(16(19)20)9-10-13(18-15)11-7-5-6-8-14(11)21-4/h5-10H,1-4H3,(H,19,20)
InChIKeyRVPUZYXUILXZTL-UHFFFAOYSA-N
XLogP3.75
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid (CID 116533920) is 2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid is COc1ccccc1-c1ccc(C(=O)O)c(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is RVPUZYXUILXZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(2,3)15-12(16(19)20)9-10-13(18-15)11-7-5-6-8-14(11)21-4/h5-10H,1-4H3,(H,19,20).
What are the key properties of 2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid?
2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 116533920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).