2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid

C14H12FNO3 — CID 60678648

IUPAC2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Oc2ccc(F)cc2)n1
InChIInChI=1S/C14H12FNO3/c1-8-7-9(2)16-13(12(8)14(17)18)19-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,17,18)
InChIKeyKJFVANTWAQKSAT-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.33
Rot. Bonds3

About 2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid

2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 60678648) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID60678648
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Oc2ccc(F)cc2)n1
InChIInChI=1S/C14H12FNO3/c1-8-7-9(2)16-13(12(8)14(17)18)19-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,17,18)
InChIKeyKJFVANTWAQKSAT-UHFFFAOYSA-N
XLogP3.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 63268704
2-(4-bromo-3-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 65203397
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 81331677
2-(2-methoxyphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678753
4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 60677891
2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 63217042
N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296113
2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678494
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 102987550
2-(3,5-difluorophenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 62786363
2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide
CID 81332753
2-but-3-enoxy-4,6-dimethylpyridine-3-carboxylic acid
CID 61003821

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid (CID 60678648) is 2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(Oc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is KJFVANTWAQKSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-8-7-9(2)16-13(12(8)14(17)18)19-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 261.25 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 60678648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).