6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid

C15H15NO3 — CID 62253003

IUPAC6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid
SMILESCC(C)c1ccc(Oc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C15H15NO3/c1-10(2)11-6-8-12(9-7-11)19-14-5-3-4-13(16-14)15(17)18/h3-10H,1-2H3,(H,17,18)
InChIKeyLSQCBIXPIZKTIB-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.70
Rot. Bonds4

About 6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid

6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid (PubChem CID 62253003) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid
PubChem CID62253003
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid
SMILESCC(C)c1ccc(Oc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C15H15NO3/c1-10(2)11-6-8-12(9-7-11)19-14-5-3-4-13(16-14)15(17)18/h3-10H,1-2H3,(H,17,18)
InChIKeyLSQCBIXPIZKTIB-UHFFFAOYSA-N
XLogP3.70
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(4-propan-2-ylphenoxy)-2-pyridinyl]methanamine
CID 62295869
6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid
CID 66457073
6-(2-aminopropoxy)pyridine-2-carboxylic acid
CID 154848823
6-(2,6-dimethoxyphenoxy)pyridine-2-carboxylic acid
CID 62255155
4-fluorophenol;6-(4-fluorophenoxy)pyridine-2-carboxylic acid;methyl 6-bromopyridine-2-carboxylate
CID 160520236
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
6-(trideuteriomethoxy)pyridine-2-carboxylic acid
CID 155291992
2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343545
N-methyl-6-phenoxy-N-phenylpyridine-2-carboxamide
CID 59881185
1-(6-phenoxy-2-pyridinyl)ethanethiol
CID 13002991
4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine
CID 14458745
4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine
CID 60726025

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid (CID 62253003) is 6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid is CC(C)c1ccc(Oc2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid?
The InChIKey is LSQCBIXPIZKTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10(2)11-6-8-12(9-7-11)19-14-5-3-4-13(16-14)15(17)18/h3-10H,1-2H3,(H,17,18).
What are the key properties of 6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid?
6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 62253003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).