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

C13H10ClNO5S — CID 63376748

IUPAC6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(Oc2nc(Cl)ccc2C(=O)O)cc1
InChIInChI=1S/C13H10ClNO5S/c1-21(18,19)9-4-2-8(3-5-9)20-12-10(13(16)17)6-7-11(14)15-12/h2-7H,1H3,(H,16,17)
InChIKeyZYLZBCFRVBMGHW-UHFFFAOYSA-N
MW327.75 g/mol
LogP2.63
Rot. Bonds4

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

6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid (PubChem CID 63376748) has the molecular formula C13H10ClNO5S and a molecular weight of 327.75 g/mol. Its IUPAC name is 6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
PubChem CID63376748
Molecular FormulaC13H10ClNO5S
Molecular Weight327.75 g/mol
Exact Mass327.00
IUPAC Name6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(Oc2nc(Cl)ccc2C(=O)O)cc1
InChIInChI=1S/C13H10ClNO5S/c1-21(18,19)9-4-2-8(3-5-9)20-12-10(13(16)17)6-7-11(14)15-12/h2-7H,1H3,(H,16,17)
InChIKeyZYLZBCFRVBMGHW-UHFFFAOYSA-N
XLogP2.63
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924
6-chloro-2-phenoxypyridine-3-carboxylic acid
CID 63376812
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
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
2-(2-bromophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376743
6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 63376850

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid (CID 63376748) is 6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid is CS(=O)(=O)c1ccc(Oc2nc(Cl)ccc2C(=O)O)cc1.
What is the InChIKey of 6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is ZYLZBCFRVBMGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO5S/c1-21(18,19)9-4-2-8(3-5-9)20-12-10(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-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 327.75 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 63376748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).