2-[(4-fluorophenyl)methylsulfonyl]pyridine

C12H10FNO2S — CID 22764648

IUPAC2-[(4-fluorophenyl)methylsulfonyl]pyridine
SMILESO=S(=O)(Cc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C12H10FNO2S/c13-11-6-4-10(5-7-11)9-17(15,16)12-3-1-2-8-14-12/h1-8H,9H2
InChIKeyNNTSMZMIFBXWJC-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.19
Rot. Bonds3

About 2-[(4-fluorophenyl)methylsulfonyl]pyridine

2-[(4-fluorophenyl)methylsulfonyl]pyridine (PubChem CID 22764648) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfonyl]pyridine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfonyl]pyridine
PubChem CID22764648
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name2-[(4-fluorophenyl)methylsulfonyl]pyridine
SMILESO=S(=O)(Cc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C12H10FNO2S/c13-11-6-4-10(5-7-11)9-17(15,16)12-3-1-2-8-14-12/h1-8H,9H2
InChIKeyNNTSMZMIFBXWJC-UHFFFAOYSA-N
XLogP2.19
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfonyl]pyridine?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfonyl]pyridine (CID 22764648) is 2-[(4-fluorophenyl)methylsulfonyl]pyridine.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfonyl]pyridine?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfonyl]pyridine is O=S(=O)(Cc1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfonyl]pyridine?
The InChIKey is NNTSMZMIFBXWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-11-6-4-10(5-7-11)9-17(15,16)12-3-1-2-8-14-12/h1-8H,9H2.
What are the key properties of 2-[(4-fluorophenyl)methylsulfonyl]pyridine?
2-[(4-fluorophenyl)methylsulfonyl]pyridine has a molecular weight of 251.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfonyl]pyridine is sourced from PubChem (CID 22764648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).