5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid

C12H6Cl2FNO3 — CID 114916977

IUPAC5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc(Cl)c(F)c2)ncc1Cl
InChIInChI=1S/C12H6Cl2FNO3/c13-8-2-1-6(3-10(8)15)19-11-4-7(12(17)18)9(14)5-16-11/h1-5H,(H,17,18)
InChIKeyCJJGZDPQNRJSAA-UHFFFAOYSA-N
MW302.09 g/mol
LogP4.02
Rot. Bonds3

About 5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid

5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid (PubChem CID 114916977) has the molecular formula C12H6Cl2FNO3 and a molecular weight of 302.09 g/mol. Its IUPAC name is 5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid
PubChem CID114916977
Molecular FormulaC12H6Cl2FNO3
Molecular Weight302.09 g/mol
Exact Mass300.97
IUPAC Name5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc(Cl)c(F)c2)ncc1Cl
InChIInChI=1S/C12H6Cl2FNO3/c13-8-2-1-6(3-10(8)15)19-11-4-7(12(17)18)9(14)5-16-11/h1-5H,(H,17,18)
InChIKeyCJJGZDPQNRJSAA-UHFFFAOYSA-N
XLogP4.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid
CID 114213929
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943
2-chloro-5-(6-methylsulfanylpyrimidin-4-yl)oxybenzoic acid
CID 106973535
5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid
CID 114916937
5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid
CID 107670303
2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid
CID 107677466
2-chloro-5-(5-cyanopyrazin-2-yl)oxybenzoic acid
CID 106502939
5-bromo-2-(4-chloro-3-fluorophenoxy)pyridine
CID 82716834
5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 113469493
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805
5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 82716669

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid (CID 114916977) is 5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid is O=C(O)c1cc(Oc2ccc(Cl)c(F)c2)ncc1Cl.
What is the InChIKey of 5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid?
The InChIKey is CJJGZDPQNRJSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO3/c13-8-2-1-6(3-10(8)15)19-11-4-7(12(17)18)9(14)5-16-11/h1-5H,(H,17,18).
What are the key properties of 5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid?
5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid has a molecular weight of 302.09 g/mol, XLogP of 4.02, 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-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 114916977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).