5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid

C13H9ClFNO3 — CID 107168816

IUPAC5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(Oc2ncc(C(=O)O)cc2Cl)cc1F
InChIInChI=1S/C13H9ClFNO3/c1-7-2-3-9(5-11(7)15)19-12-10(14)4-8(6-16-12)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeyBPSCFXAINVAOLK-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.67
Rot. Bonds3

About 5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid

5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid (PubChem CID 107168816) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
PubChem CID107168816
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(Oc2ncc(C(=O)O)cc2Cl)cc1F
InChIInChI=1S/C13H9ClFNO3/c1-7-2-3-9(5-11(7)15)19-12-10(14)4-8(6-16-12)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeyBPSCFXAINVAOLK-UHFFFAOYSA-N
XLogP3.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784100
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 82716669
[5-chloro-6-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methanol
CID 107170106
5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 28605623
3-chloro-2-(3-fluoro-4-methylphenoxy)pyridine-4-carboxylic acid
CID 107171003
5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid
CID 43144816
2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid
CID 107171000
5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 63459288
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122
5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 43364384
6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631293

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid (CID 107168816) is 5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid is Cc1ccc(Oc2ncc(C(=O)O)cc2Cl)cc1F.
What is the InChIKey of 5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is BPSCFXAINVAOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c1-7-2-3-9(5-11(7)15)19-12-10(14)4-8(6-16-12)13(17)18/h2-6H,1H3,(H,17,18).
What are the key properties of 5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid?
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 281.67 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 107168816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).