3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid

C17H19NO3 — CID 81439619

IUPAC3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid
SMILESCC(C)(C)c1ccc(COc2cnccc2C(=O)O)cc1
InChIInChI=1S/C17H19NO3/c1-17(2,3)13-6-4-12(5-7-13)11-21-15-10-18-9-8-14(15)16(19)20/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyVGHXAHKYCKOGKO-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.66
Rot. Bonds4

About 3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid

3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid (PubChem CID 81439619) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid
PubChem CID81439619
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid
SMILESCC(C)(C)c1ccc(COc2cnccc2C(=O)O)cc1
InChIInChI=1S/C17H19NO3/c1-17(2,3)13-6-4-12(5-7-13)11-21-15-10-18-9-8-14(15)16(19)20/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyVGHXAHKYCKOGKO-UHFFFAOYSA-N
XLogP3.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446238
3-[(3-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446135
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
3-(3-cyano-3-methylbutoxy)pyridine-4-carboxylic acid
CID 81446577
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81446500
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid
CID 81445898
3-(3-ethoxypropoxy)pyridine-4-carboxylic acid
CID 81446404
3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid
CID 81445559

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid (CID 81439619) is 3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid is CC(C)(C)c1ccc(COc2cnccc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is VGHXAHKYCKOGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(2,3)13-6-4-12(5-7-13)11-21-15-10-18-9-8-14(15)16(19)20/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of 3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid?
3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81439619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).