5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid

C14H12ClNO3 — CID 28605623

IUPAC5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(C)c(Oc2ncc(C(=O)O)cc2Cl)c1
InChIInChI=1S/C14H12ClNO3/c1-8-3-4-9(2)12(5-8)19-13-11(15)6-10(7-16-13)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyFBYLKWLIKSOTKD-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.84
Rot. Bonds3

About 5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid

5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid (PubChem CID 28605623) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid
PubChem CID28605623
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid
SMILESCc1ccc(C)c(Oc2ncc(C(=O)O)cc2Cl)c1
InChIInChI=1S/C14H12ClNO3/c1-8-3-4-9(2)12(5-8)19-13-11(15)6-10(7-16-13)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyFBYLKWLIKSOTKD-UHFFFAOYSA-N
XLogP3.84
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 43364384
6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80632032
5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 63459288
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
CID 107168816
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid
CID 63537019
5-chloro-6-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]pyridine-3-carboxylic acid
CID 138716369
5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784100
5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
CID 81341368
4-(2,5-dimethylphenoxy)benzoic acid
CID 22684928
3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid
CID 169304234
5-chloro-6-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664153

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid (CID 28605623) is 5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid is Cc1ccc(C)c(Oc2ncc(C(=O)O)cc2Cl)c1.
What is the InChIKey of 5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is FBYLKWLIKSOTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-8-3-4-9(2)12(5-8)19-13-11(15)6-10(7-16-13)14(17)18/h3-7H,1-2H3,(H,17,18).
What are the key properties of 5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid?
5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 28605623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).