2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid

C17H19NO3 — CID 115493466

IUPAC2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid
SMILESCCCCc1ccc(Oc2nccc(C)c2C(=O)O)cc1
InChIInChI=1S/C17H19NO3/c1-3-4-5-13-6-8-14(9-7-13)21-16-15(17(19)20)12(2)10-11-18-16/h6-11H,3-5H2,1-2H3,(H,19,20)
InChIKeyBMCKPYHTKXASSI-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.22
Rot. Bonds6

About 2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid

2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid (PubChem CID 115493466) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid
PubChem CID115493466
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid
SMILESCCCCc1ccc(Oc2nccc(C)c2C(=O)O)cc1
InChIInChI=1S/C17H19NO3/c1-3-4-5-13-6-8-14(9-7-13)21-16-15(17(19)20)12(2)10-11-18-16/h6-11H,3-5H2,1-2H3,(H,19,20)
InChIKeyBMCKPYHTKXASSI-UHFFFAOYSA-N
XLogP4.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-butylphenoxy)pyrazine-2-carboxylic acid
CID 115493465
3-bromo-2-(4-butylphenoxy)-4-methylpyridine
CID 106878070
2-(4-butylphenoxy)-3-methylbenzoic acid
CID 107112600
3-bromo-2-(4-butylphenoxy)pyridine
CID 115493013
5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid
CID 62701914
3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile
CID 82813718
6-(4-butylphenoxy)-5-methylpyridin-3-amine
CID 115492232
4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine
CID 115492565
5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid
CID 146305775
3-(4-butylphenoxy)-4,5-dimethoxybenzoic acid
CID 142698612
2-butyl-4-methylpyridine-3-carboxamide
CID 68808466
3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 105379997

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid (CID 115493466) is 2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid is CCCCc1ccc(Oc2nccc(C)c2C(=O)O)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid?
The InChIKey is BMCKPYHTKXASSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-4-5-13-6-8-14(9-7-13)21-16-15(17(19)20)12(2)10-11-18-16/h6-11H,3-5H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid?
2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 115493466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).