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

C13H10ClNO5S — CID 107063434

IUPAC3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid
SMILESCS(=O)(=O)c1cccc(Oc2nccc(C(=O)O)c2Cl)c1
InChIInChI=1S/C13H10ClNO5S/c1-21(18,19)9-4-2-3-8(7-9)20-12-11(14)10(13(16)17)5-6-15-12/h2-7H,1H3,(H,16,17)
InChIKeyJSELKSWXRBYKMN-UHFFFAOYSA-N
MW327.75 g/mol
LogP2.63
Rot. Bonds4

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

3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid (PubChem CID 107063434) has the molecular formula C13H10ClNO5S and a molecular weight of 327.75 g/mol. Its IUPAC name is 3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid
PubChem CID107063434
Molecular FormulaC13H10ClNO5S
Molecular Weight327.75 g/mol
Exact Mass327.00
IUPAC Name3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid
SMILESCS(=O)(=O)c1cccc(Oc2nccc(C(=O)O)c2Cl)c1
InChIInChI=1S/C13H10ClNO5S/c1-21(18,19)9-4-2-3-8(7-9)20-12-11(14)10(13(16)17)5-6-15-12/h2-7H,1H3,(H,16,17)
InChIKeyJSELKSWXRBYKMN-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

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Related Compounds

2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063355
3-chloro-2-(3-fluoro-4-methylphenoxy)pyridine-4-carboxylic acid
CID 107171003
4-bromo-2-(3-methylsulfonylphenoxy)benzoic acid
CID 43807122
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063604
[5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol
CID 61256942
3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid
CID 107063396
3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile
CID 60620396
3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid
CID 107063256
3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine
CID 61267710
2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063534
3,5-dichloro-6-(3-methylsulfonylphenoxy)pyridin-2-amine
CID 102760799
2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063613

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid (CID 107063434) is 3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid is CS(=O)(=O)c1cccc(Oc2nccc(C(=O)O)c2Cl)c1.
What is the InChIKey of 3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid?
The InChIKey is JSELKSWXRBYKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO5S/c1-21(18,19)9-4-2-3-8(7-9)20-12-11(14)10(13(16)17)5-6-15-12/h2-7H,1H3,(H,16,17).
What are the key properties of 3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid?
3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-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 3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 107063434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).