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

C14H11ClFNO3 — CID 82727618

IUPAC4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2ccc(Cl)c(F)c2)c(C(=O)O)c(C)n1
InChIInChI=1S/C14H11ClFNO3/c1-7-5-12(13(14(18)19)8(2)17-7)20-9-3-4-10(15)11(16)6-9/h3-6H,1-2H3,(H,18,19)
InChIKeyZAJQHSMATJEUAS-UHFFFAOYSA-N
MW295.70 g/mol
LogP3.98
Rot. Bonds3

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

4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 82727618) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID82727618
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(Oc2ccc(Cl)c(F)c2)c(C(=O)O)c(C)n1
InChIInChI=1S/C14H11ClFNO3/c1-7-5-12(13(14(18)19)8(2)17-7)20-9-3-4-10(15)11(16)6-9/h3-6H,1-2H3,(H,18,19)
InChIKeyZAJQHSMATJEUAS-UHFFFAOYSA-N
XLogP3.98
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid (CID 82727618) is 4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(Oc2ccc(Cl)c(F)c2)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is ZAJQHSMATJEUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-7-5-12(13(14(18)19)8(2)17-7)20-9-3-4-10(15)11(16)6-9/h3-6H,1-2H3,(H,18,19).
What are the key properties of 4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid?
4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 295.70 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 82727618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).