2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid

C17H19NO3 — CID 43238290

IUPAC2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C(C)(C)C)ccc1Oc1ncccc1C(=O)O
InChIInChI=1S/C17H19NO3/c1-11-10-12(17(2,3)4)7-8-14(11)21-15-13(16(19)20)6-5-9-18-15/h5-10H,1-4H3,(H,19,20)
InChIKeySLJGQCGCUBRWJN-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.18
Rot. Bonds3

About 2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid

2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid (PubChem CID 43238290) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid
PubChem CID43238290
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C(C)(C)C)ccc1Oc1ncccc1C(=O)O
InChIInChI=1S/C17H19NO3/c1-11-10-12(17(2,3)4)7-8-14(11)21-15-13(16(19)20)6-5-9-18-15/h5-10H,1-4H3,(H,19,20)
InChIKeySLJGQCGCUBRWJN-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butyl-2-methylphenoxy)pyrazine-2-carboxylic acid
CID 62701066
1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone
CID 114055671
4-[(3-bromo-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672787
2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 67533760
2-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 45437625
2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid
CID 117096595
2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid
CID 117096547
2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 46779210
2-(2,5-dimethylpyrazol-3-yl)oxypyridine-3-carboxylic acid
CID 81342189
2-tert-butylpyridine-3-carboxylic acid
CID 20815660
2-naphthalen-2-yloxypyridine-3-carboxylic acid
CID 16784651
[4-[2-[4-(2-chloropyridine-3-carbonyl)oxy-3-methylphenyl]propan-2-yl]-2-methylphenyl] 2-chloropyridine-3-carboxylate
CID 2402982

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid (CID 43238290) is 2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid is Cc1cc(C(C)(C)C)ccc1Oc1ncccc1C(=O)O.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is SLJGQCGCUBRWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-10-12(17(2,3)4)7-8-14(11)21-15-13(16(19)20)6-5-9-18-15/h5-10H,1-4H3,(H,19,20).
What are the key properties of 2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid?
2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 43238290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).