2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine

C15H11Cl2F5N2O3S — CID 137395456

IUPAC2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine
SMILESCCS(=O)(=O)c1ccc(Cl)nc1-c1ccc(OCC(F)(F)C(F)(F)F)c(Cl)n1
InChIInChI=1S/C15H11Cl2F5N2O3S/c1-2-28(25,26)10-5-6-11(16)24-12(10)8-3-4-9(13(17)23-8)27-7-14(18,19)15(20,21)22/h3-6H,2,7H2,1H3
InChIKeyOGFBIIXBBSIYON-UHFFFAOYSA-N
MW465.23 g/mol
LogP4.82
Rot. Bonds6

About 2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine

2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine (PubChem CID 137395456) has the molecular formula C15H11Cl2F5N2O3S and a molecular weight of 465.23 g/mol. Its IUPAC name is 2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine.

Molecular Properties

Compound Name2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine
PubChem CID137395456
Molecular FormulaC15H11Cl2F5N2O3S
Molecular Weight465.23 g/mol
Exact Mass463.98
IUPAC Name2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine
SMILESCCS(=O)(=O)c1ccc(Cl)nc1-c1ccc(OCC(F)(F)C(F)(F)F)c(Cl)n1
InChIInChI=1S/C15H11Cl2F5N2O3S/c1-2-28(25,26)10-5-6-11(16)24-12(10)8-3-4-9(13(17)23-8)27-7-14(18,19)15(20,21)22/h3-6H,2,7H2,1H3
InChIKeyOGFBIIXBBSIYON-UHFFFAOYSA-N
XLogP4.82
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.23
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine
CID 134166741
2-chloro-5-ethylsulfonyl-6-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine
CID 122467220
6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-1-(2,2,3,3,3-pentafluoropropyl)-4H-pyrido[3,4-d][1,3]oxazin-2-one
CID 164588991
3-(3-ethylsulfonyl-2-pyridinyl)-1-oxido-6-(2,2,3,3,3-pentafluoropropoxy)pyridazin-1-ium
CID 129177644
2-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-5-(trifluoromethylsulfonyl)-1H-indole
CID 141470635
5-ethylsulfonyl-N-methyl-6-[1-(2,2,3,3,3-pentafluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-amine
CID 155102337
3-ethylsulfonyl-2-(2,2,3,3,3-pentafluoropropyl)-6-(1,2,4-triazol-1-yl)pyridine
CID 175205999
3-(3-ethylsulfonyl-5-pyridin-2-yloxy-2-pyridinyl)-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine
CID 142364361
2-chloro-8-pentan-3-yloxyquinoline-5-sulfonamide
CID 83171653
6-[6-(dimethylamino)-3-ethylsulfonyl-2-pyridinyl]-3-(2,2,3,4,4,4-hexafluorobutyl)pyrimidin-4-one
CID 121264803
sodium 6-chloro-3-ethylsulfonylpyridine-2-carboxylate
CID 129069213
2-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine-4-carbonitrile
CID 135289901

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine?
The IUPAC name of 2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine (CID 137395456) is 2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine.
What is the SMILES notation for 2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine?
The canonical SMILES for 2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine is CCS(=O)(=O)c1ccc(Cl)nc1-c1ccc(OCC(F)(F)C(F)(F)F)c(Cl)n1.
What is the InChIKey of 2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine?
The InChIKey is OGFBIIXBBSIYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F5N2O3S/c1-2-28(25,26)10-5-6-11(16)24-12(10)8-3-4-9(13(17)23-8)27-7-14(18,19)15(20,21)22/h3-6H,2,7H2,1H3.
What are the key properties of 2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine?
2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine has a molecular weight of 465.23 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(6-chloro-3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropoxy)pyridine is sourced from PubChem (CID 137395456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).