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

C14H11ClFNO3 — CID 778151

IUPAC5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1nc(Oc2ccc(F)cc2)c(C(=O)O)c(C)c1Cl
InChIInChI=1S/C14H11ClFNO3/c1-7-11(14(18)19)13(17-8(2)12(7)15)20-10-5-3-9(16)4-6-10/h3-6H,1-2H3,(H,18,19)
InChIKeyVJKGIIUIVVCWRP-UHFFFAOYSA-N
MW295.70 g/mol
LogP3.98
Rot. Bonds3

About 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid

5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 778151) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID778151
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1nc(Oc2ccc(F)cc2)c(C(=O)O)c(C)c1Cl
InChIInChI=1S/C14H11ClFNO3/c1-7-11(14(18)19)13(17-8(2)12(7)15)20-10-5-3-9(16)4-6-10/h3-6H,1-2H3,(H,18,19)
InChIKeyVJKGIIUIVVCWRP-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 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid (CID 778151) is 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid is Cc1nc(Oc2ccc(F)cc2)c(C(=O)O)c(C)c1Cl.
What is the InChIKey of 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is VJKGIIUIVVCWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-7-11(14(18)19)13(17-8(2)12(7)15)20-10-5-3-9(16)4-6-10/h3-6H,1-2H3,(H,18,19).
What are the key properties of 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid?
5-chloro-2-(4-fluorophenoxy)-4,6-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 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 778151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).