5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine

C14H11ClFNO4S — CID 122159071

IUPAC5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine
SMILESO=S(=O)(Cc1cc(F)cc2c1OCOC2)c1ccc(Cl)cn1
InChIInChI=1S/C14H11ClFNO4S/c15-11-1-2-13(17-5-11)22(18,19)7-10-4-12(16)3-9-6-20-8-21-14(9)10/h1-5H,6-8H2
InChIKeyGAOSVCIYMOGGTP-UHFFFAOYSA-N
MW343.76 g/mol
LogP2.71
Rot. Bonds3

About 5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine

5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine (PubChem CID 122159071) has the molecular formula C14H11ClFNO4S and a molecular weight of 343.76 g/mol. Its IUPAC name is 5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine
PubChem CID122159071
Molecular FormulaC14H11ClFNO4S
Molecular Weight343.76 g/mol
Exact Mass343.01
IUPAC Name5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine
SMILESO=S(=O)(Cc1cc(F)cc2c1OCOC2)c1ccc(Cl)cn1
InChIInChI=1S/C14H11ClFNO4S/c15-11-1-2-13(17-5-11)22(18,19)7-10-4-12(16)3-9-6-20-8-21-14(9)10/h1-5H,6-8H2
InChIKeyGAOSVCIYMOGGTP-UHFFFAOYSA-N
XLogP2.71
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine?
The IUPAC name of 5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine (CID 122159071) is 5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine.
What is the SMILES notation for 5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine?
The canonical SMILES for 5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine is O=S(=O)(Cc1cc(F)cc2c1OCOC2)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine?
The InChIKey is GAOSVCIYMOGGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4S/c15-11-1-2-13(17-5-11)22(18,19)7-10-4-12(16)3-9-6-20-8-21-14(9)10/h1-5H,6-8H2.
What are the key properties of 5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine?
5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine has a molecular weight of 343.76 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfonyl]pyridine is sourced from PubChem (CID 122159071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).