4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid

C15H14FNO3 — CID 102987550

IUPAC4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2cc(F)ccc2C)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H14FNO3/c1-8-4-5-11(16)7-12(8)20-13-6-9(2)17-10(3)14(13)15(18)19/h4-7H,1-3H3,(H,18,19)
InChIKeyXTZDZLYCKWYNLF-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.64
Rot. Bonds3

About 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid

4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 102987550) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID102987550
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2cc(F)ccc2C)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H14FNO3/c1-8-4-5-11(16)7-12(8)20-13-6-9(2)17-10(3)14(13)15(18)19/h4-7H,1-3H3,(H,18,19)
InChIKeyXTZDZLYCKWYNLF-UHFFFAOYSA-N
XLogP3.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053396
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 102982075
4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052848
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 63268704
4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 82727618
4-(4-bromo-3,5-dimethylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 107726792
4-(5-bromo-2-chlorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053475
2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid
CID 107555050
2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678648
4-bromo-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102987538
4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid
CID 102989826
4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81036289

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid (CID 102987550) is 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(Oc2cc(F)ccc2C)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is XTZDZLYCKWYNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-8-4-5-11(16)7-12(8)20-13-6-9(2)17-10(3)14(13)15(18)19/h4-7H,1-3H3,(H,18,19).
What are the key properties of 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 102987550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).