5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid

C13H10ClNO4 — CID 16784776

IUPAC5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1ccc(Oc2ncc(C(=O)O)cc2Cl)cc1
InChIInChI=1S/C13H10ClNO4/c1-18-9-2-4-10(5-3-9)19-12-11(14)6-8(7-15-12)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyJIQUINMRCXCCNA-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.23
Rot. Bonds4

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

5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid (PubChem CID 16784776) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is 5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
PubChem CID16784776
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Name5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1ccc(Oc2ncc(C(=O)O)cc2Cl)cc1
InChIInChI=1S/C13H10ClNO4/c1-18-9-2-4-10(5-3-9)19-12-11(14)6-8(7-15-12)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyJIQUINMRCXCCNA-UHFFFAOYSA-N
XLogP3.23
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784100
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
CID 107168816
5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid
CID 43144816
5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 43364384
5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 28605623
6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631293
5-methyl-6-phenoxypyridine-3-carboxylic acid
CID 15687066
5-chloro-6-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664153
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860
ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate
CID 121281075
5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid (CID 16784776) is 5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid is COc1ccc(Oc2ncc(C(=O)O)cc2Cl)cc1.
What is the InChIKey of 5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid?
The InChIKey is JIQUINMRCXCCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c1-18-9-2-4-10(5-3-9)19-12-11(14)6-8(7-15-12)13(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid?
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid has a molecular weight of 279.68 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 16784776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).