2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane

C12H19F2NO2S — CID 176667019

IUPAC2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane
SMILESCC.CC(C)c1cnc(C(F)F)c(S(C)(=O)=O)c1
InChIInChI=1S/C10H13F2NO2S.C2H6/c1-6(2)7-4-8(16(3,14)15)9(10(11)12)13-5-7;1-2/h4-6,10H,1-3H3;1-2H3
InChIKeyKKYJMLZRDQAQMB-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.57
Rot. Bonds3

About 2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane

2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane (PubChem CID 176667019) has the molecular formula C12H19F2NO2S and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane
PubChem CID176667019
Molecular FormulaC12H19F2NO2S
Molecular Weight279.35 g/mol
Exact Mass279.11
IUPAC Name2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane
SMILESCC.CC(C)c1cnc(C(F)F)c(S(C)(=O)=O)c1
InChIInChI=1S/C10H13F2NO2S.C2H6/c1-6(2)7-4-8(16(3,14)15)9(10(11)12)13-5-7;1-2/h4-6,10H,1-3H3;1-2H3
InChIKeyKKYJMLZRDQAQMB-UHFFFAOYSA-N
XLogP3.57
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane?
The IUPAC name of 2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane (CID 176667019) is 2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane.
What is the SMILES notation for 2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane?
The canonical SMILES for 2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane is CC.CC(C)c1cnc(C(F)F)c(S(C)(=O)=O)c1.
What is the InChIKey of 2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane?
The InChIKey is KKYJMLZRDQAQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S.C2H6/c1-6(2)7-4-8(16(3,14)15)9(10(11)12)13-5-7;1-2/h4-6,10H,1-3H3;1-2H3.
What are the key properties of 2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane?
2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane has a molecular weight of 279.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methylsulfonyl-5-propan-2-ylpyridine;ethane is sourced from PubChem (CID 176667019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).