2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine

C13H8Cl2F3NO2S — CID 2744963

IUPAC2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H8Cl2F3NO2S/c14-10-2-1-3-11(15)9(10)7-22(20,21)12-5-4-8(6-19-12)13(16,17)18/h1-6H,7H2
InChIKeyDCFGHNNPUXZAJA-UHFFFAOYSA-N
MW370.18 g/mol
LogP4.38
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine

2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine (PubChem CID 2744963) has the molecular formula C13H8Cl2F3NO2S and a molecular weight of 370.18 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine
PubChem CID2744963
Molecular FormulaC13H8Cl2F3NO2S
Molecular Weight370.18 g/mol
Exact Mass368.96
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H8Cl2F3NO2S/c14-10-2-1-3-11(15)9(10)7-22(20,21)12-5-4-8(6-19-12)13(16,17)18/h1-6H,7H2
InChIKeyDCFGHNNPUXZAJA-UHFFFAOYSA-N
XLogP4.38
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.18
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene
CID 2807423
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetonitrile
CID 2820801
2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-5-(trifluoromethyl)pyridine
CID 11890191
2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine
CID 167877569
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
methyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
CID 2800689
(Z)-3-(2-chlorophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]prop-2-enenitrile
CID 6364745
1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine
CID 63805451
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl 2,3,3-trichloroprop-2-enoate
CID 2779715
N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxamide
CID 5048718
2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine
CID 1475890
7,8-dichloro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-3,4-dihydro-1H-isoquinoline
CID 166317926

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine (CID 2744963) is 2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine is O=S(=O)(Cc1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine?
The InChIKey is DCFGHNNPUXZAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO2S/c14-10-2-1-3-11(15)9(10)7-22(20,21)12-5-4-8(6-19-12)13(16,17)18/h1-6H,7H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine?
2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine has a molecular weight of 370.18 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2744963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).