4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid

C16H17NO3 — CID 81228623

IUPAC4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid
SMILESCC(C)(C)c1ccccc1Oc1ccncc1C(=O)O
InChIInChI=1S/C16H17NO3/c1-16(2,3)12-6-4-5-7-14(12)20-13-8-9-17-10-11(13)15(18)19/h4-10H,1-3H3,(H,18,19)
InChIKeyUWXBLPGOKVIMMT-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.87
Rot. Bonds3

About 4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid

4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid (PubChem CID 81228623) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid
PubChem CID81228623
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid
SMILESCC(C)(C)c1ccccc1Oc1ccncc1C(=O)O
InChIInChI=1S/C16H17NO3/c1-16(2,3)12-6-4-5-7-14(12)20-13-8-9-17-10-11(13)15(18)19/h4-10H,1-3H3,(H,18,19)
InChIKeyUWXBLPGOKVIMMT-UHFFFAOYSA-N
XLogP3.87
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid (CID 81228623) is 4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid is CC(C)(C)c1ccccc1Oc1ccncc1C(=O)O.
What is the InChIKey of 4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is UWXBLPGOKVIMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-16(2,3)12-6-4-5-7-14(12)20-13-8-9-17-10-11(13)15(18)19/h4-10H,1-3H3,(H,18,19).
What are the key properties of 4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid?
4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 81228623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).