(3-fluoro-4-pyridinyl)methanesulfonyl chloride

C6H5ClFNO2S — CID 84677272

IUPAC(3-fluoro-4-pyridinyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccncc1F
InChIInChI=1S/C6H5ClFNO2S/c7-12(10,11)4-5-1-2-9-3-6(5)8/h1-3H,4H2
InChIKeyQWLPFYPXJKIWNM-UHFFFAOYSA-N
MW209.63 g/mol
LogP1.29
Rot. Bonds2

About (3-fluoro-4-pyridinyl)methanesulfonyl chloride

(3-fluoro-4-pyridinyl)methanesulfonyl chloride (PubChem CID 84677272) has the molecular formula C6H5ClFNO2S and a molecular weight of 209.63 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)methanesulfonyl chloride
PubChem CID84677272
Molecular FormulaC6H5ClFNO2S
Molecular Weight209.63 g/mol
Exact Mass208.97
IUPAC Name(3-fluoro-4-pyridinyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccncc1F
InChIInChI=1S/C6H5ClFNO2S/c7-12(10,11)4-5-1-2-9-3-6(5)8/h1-3H,4H2
InChIKeyQWLPFYPXJKIWNM-UHFFFAOYSA-N
XLogP1.29
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-4-pyridinyl)methanesulfonyl chloride
CID 130516221
3-fluoro-4-(fluoromethyl)pyridine
CID 105427398
isoquinolin-8-ylmethanesulfonyl chloride
CID 84702854
2-(3-fluoro-4-pyridinyl)acetaldehyde
CID 87110960
pyridin-3-ylmethanesulfonyl chloride
CID 4658302
4-(fluoromethyl)pyridine-3-sulfonyl chloride
CID 129453019
3-(3-fluoro-4-pyridinyl)propanoic acid
CID 84653318
3-fluoro-4-(methoxymethyl)pyridine
CID 143620796
(3-chloro-2,4-difluorophenyl)methanesulfonyl chloride
CID 84806660
4-(3-bromopropyl)-3-fluoropyridine
CID 104739099
1,6-naphthyridin-3-ylmethanesulfonyl chloride
CID 84801776
ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide
CID 171522941

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)methanesulfonyl chloride?
The IUPAC name of (3-fluoro-4-pyridinyl)methanesulfonyl chloride (CID 84677272) is (3-fluoro-4-pyridinyl)methanesulfonyl chloride.
What is the SMILES notation for (3-fluoro-4-pyridinyl)methanesulfonyl chloride?
The canonical SMILES for (3-fluoro-4-pyridinyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccncc1F.
What is the InChIKey of (3-fluoro-4-pyridinyl)methanesulfonyl chloride?
The InChIKey is QWLPFYPXJKIWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO2S/c7-12(10,11)4-5-1-2-9-3-6(5)8/h1-3H,4H2.
What are the key properties of (3-fluoro-4-pyridinyl)methanesulfonyl chloride?
(3-fluoro-4-pyridinyl)methanesulfonyl chloride has a molecular weight of 209.63 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)methanesulfonyl chloride is sourced from PubChem (CID 84677272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).