2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride

C12H9ClFNO3S — CID 107168534

IUPAC2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride
SMILESCc1ccc(Oc2ncccc2S(=O)(=O)Cl)cc1F
InChIInChI=1S/C12H9ClFNO3S/c1-8-4-5-9(7-10(8)14)18-12-11(19(13,16)17)3-2-6-15-12/h2-7H,1H3
InChIKeyQZVKGIFNLKGLRS-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.25
Rot. Bonds3

About 2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride

2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride (PubChem CID 107168534) has the molecular formula C12H9ClFNO3S and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride
PubChem CID107168534
Molecular FormulaC12H9ClFNO3S
Molecular Weight301.73 g/mol
Exact Mass301.00
IUPAC Name2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride
SMILESCc1ccc(Oc2ncccc2S(=O)(=O)Cl)cc1F
InChIInChI=1S/C12H9ClFNO3S/c1-8-4-5-9(7-10(8)14)18-12-11(19(13,16)17)3-2-6-15-12/h2-7H,1H3
InChIKeyQZVKGIFNLKGLRS-UHFFFAOYSA-N
XLogP3.25
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride
CID 112573023
2-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107168496
2-(2-fluorophenoxy)pyridine-3-sulfonyl chloride
CID 112572880
2-phenoxypyridine-3-sulfonyl chloride
CID 112572899
2-(3,4-difluorophenoxy)pyridine-3-sulfonamide
CID 112573012
2-(4-bromo-2-fluorophenoxy)pyridine-3-sulfonyl chloride
CID 112572968
1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056793
2-[3-(methoxymethyl)phenoxy]pyridine-3-sulfonyl chloride
CID 115928514
2-(3-bromo-4-fluorophenoxy)pyridine-3-sulfonamide
CID 112573154
3-chloro-2-(3-fluoro-4-methylphenoxy)pyridine-4-carboxylic acid
CID 107171003
2-(2-propan-2-ylphenoxy)pyridine-3-sulfonyl chloride
CID 115928434
5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107170148

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride (CID 107168534) is 2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride is Cc1ccc(Oc2ncccc2S(=O)(=O)Cl)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride?
The InChIKey is QZVKGIFNLKGLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO3S/c1-8-4-5-9(7-10(8)14)18-12-11(19(13,16)17)3-2-6-15-12/h2-7H,1H3.
What are the key properties of 2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride?
2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride has a molecular weight of 301.73 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 107168534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).