6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid

C13H10ClNO4 — CID 63376924

IUPAC6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1ccc(Oc2nc(Cl)ccc2C(=O)O)cc1
InChIInChI=1S/C13H10ClNO4/c1-18-8-2-4-9(5-3-8)19-12-10(13(16)17)6-7-11(14)15-12/h2-7H,1H3,(H,16,17)
InChIKeyLRUNSSQZPREIKJ-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.23
Rot. Bonds4

About 6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid

6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid (PubChem CID 63376924) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is 6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
PubChem CID63376924
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Name6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
SMILESCOc1ccc(Oc2nc(Cl)ccc2C(=O)O)cc1
InChIInChI=1S/C13H10ClNO4/c1-18-8-2-4-9(5-3-8)19-12-10(13(16)17)6-7-11(14)15-12/h2-7H,1H3,(H,16,17)
InChIKeyLRUNSSQZPREIKJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-phenoxypyridine-3-carboxylic acid
CID 63376812
6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 63376748
6-chloro-2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 63376513
6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376771
6-chloro-2-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376747
6-chloro-2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376629
6-chloro-2-(4-chloro-3-ethylphenoxy)pyridine-3-carboxylic acid
CID 63376630
6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 118038351
6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid
CID 55185255
2-(2-bromophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376743
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
6-chloro-2-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 55183255

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid (CID 63376924) is 6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid is COc1ccc(Oc2nc(Cl)ccc2C(=O)O)cc1.
What is the InChIKey of 6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid?
The InChIKey is LRUNSSQZPREIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c1-18-8-2-4-9(5-3-8)19-12-10(13(16)17)6-7-11(14)15-12/h2-7H,1H3,(H,16,17).
What are the key properties of 6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid?
6-chloro-2-(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 6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 63376924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).