2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine

C15H16F2N2O3S — CID 134166732

IUPAC2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine
SMILESCCS(=O)(=O)c1cccnc1-c1ccc(OCC(C)(F)F)cn1
InChIInChI=1S/C15H16F2N2O3S/c1-3-23(20,21)13-5-4-8-18-14(13)12-7-6-11(9-19-12)22-10-15(2,16)17/h4-9H,3,10H2,1-2H3
InChIKeyJINITLQZMTXAJF-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.97
Rot. Bonds6

About 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine

2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine (PubChem CID 134166732) has the molecular formula C15H16F2N2O3S and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine.

Molecular Properties

Compound Name2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine
PubChem CID134166732
Molecular FormulaC15H16F2N2O3S
Molecular Weight342.37 g/mol
Exact Mass342.08
IUPAC Name2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine
SMILESCCS(=O)(=O)c1cccnc1-c1ccc(OCC(C)(F)F)cn1
InChIInChI=1S/C15H16F2N2O3S/c1-3-23(20,21)13-5-4-8-18-14(13)12-7-6-11(9-19-12)22-10-15(2,16)17/h4-9H,3,10H2,1-2H3
InChIKeyJINITLQZMTXAJF-UHFFFAOYSA-N
XLogP2.97
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine
CID 134166741
N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine
CID 159537854
2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonyl-5-prop-2-enylpyridine
CID 134166754
3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-5-methyl-1H-pyridazin-2-ium 2-oxide
CID 158344234
3-(3-ethylsulfonyl-2-pyridinyl)-6-(2,2,2-trichloroethoxy)pyridazine
CID 129177650
3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)pyridazine
CID 158774912
3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine
CID 138603848
2-chloro-5-ethylsulfonyl-6-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine
CID 122467220
3-(3-ethylsulfonyl-2-pyridinyl)-1-oxido-6-(2,2,3,3,3-pentafluoropropoxy)pyridazin-1-ium
CID 129177644
2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine
CID 59737829
5-(3-ethylsulfonyl-2-pyridinyl)-1-(2,2,3,3,3-pentafluoropropyl)pyrrolo[2,3-c]pyridine
CID 155102053
1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone
CID 172850799

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine?
The IUPAC name of 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine (CID 134166732) is 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine.
What is the SMILES notation for 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine?
The canonical SMILES for 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine is CCS(=O)(=O)c1cccnc1-c1ccc(OCC(C)(F)F)cn1.
What is the InChIKey of 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine?
The InChIKey is JINITLQZMTXAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3S/c1-3-23(20,21)13-5-4-8-18-14(13)12-7-6-11(9-19-12)22-10-15(2,16)17/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine?
2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine has a molecular weight of 342.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine is sourced from PubChem (CID 134166732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).