2-(difluoromethylsulfonylmethyl)pyridine

C7H7F2NO2S — CID 66972194

IUPAC2-(difluoromethylsulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1ccccn1)C(F)F
InChIInChI=1S/C7H7F2NO2S/c8-7(9)13(11,12)5-6-3-1-2-4-10-6/h1-4,7H,5H2
InChIKeyBQMQNDUXNDVEAQ-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.22
Rot. Bonds3

About 2-(difluoromethylsulfonylmethyl)pyridine

2-(difluoromethylsulfonylmethyl)pyridine (PubChem CID 66972194) has the molecular formula C7H7F2NO2S and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethylsulfonylmethyl)pyridine
PubChem CID66972194
Molecular FormulaC7H7F2NO2S
Molecular Weight207.20 g/mol
Exact Mass207.02
IUPAC Name2-(difluoromethylsulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1ccccn1)C(F)F
InChIInChI=1S/C7H7F2NO2S/c8-7(9)13(11,12)5-6-3-1-2-4-10-6/h1-4,7H,5H2
InChIKeyBQMQNDUXNDVEAQ-UHFFFAOYSA-N
XLogP1.22
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-ethylpyridine;methanesulfonic acid
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2-(2-bromo-3-methylsulfonylpropyl)pyridine
CID 66452236
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
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2-fluoro-5-(pyridin-2-ylmethylsulfonyl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylmethyl)pyridine?
The IUPAC name of 2-(difluoromethylsulfonylmethyl)pyridine (CID 66972194) is 2-(difluoromethylsulfonylmethyl)pyridine.
What is the SMILES notation for 2-(difluoromethylsulfonylmethyl)pyridine?
The canonical SMILES for 2-(difluoromethylsulfonylmethyl)pyridine is O=S(=O)(Cc1ccccn1)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonylmethyl)pyridine?
The InChIKey is BQMQNDUXNDVEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2S/c8-7(9)13(11,12)5-6-3-1-2-4-10-6/h1-4,7H,5H2.
What are the key properties of 2-(difluoromethylsulfonylmethyl)pyridine?
2-(difluoromethylsulfonylmethyl)pyridine has a molecular weight of 207.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylmethyl)pyridine is sourced from PubChem (CID 66972194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).