2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile

C12H11F5N2 — CID 23161389

IUPAC2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCc1c(C(F)(F)F)nc(C(F)F)c(C#N)c1CC
InChIInChI=1S/C12H11F5N2/c1-3-6-7(4-2)10(12(15,16)17)19-9(11(13)14)8(6)5-18/h11H,3-4H2,1-2H3
InChIKeyVQAXSKFKZLWQDT-UHFFFAOYSA-N
MW278.22 g/mol
LogP4.03
Rot. Bonds3

About 2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 23161389) has the molecular formula C12H11F5N2 and a molecular weight of 278.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID23161389
Molecular FormulaC12H11F5N2
Molecular Weight278.22 g/mol
Exact Mass278.08
IUPAC Name2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCc1c(C(F)(F)F)nc(C(F)F)c(C#N)c1CC
InChIInChI=1S/C12H11F5N2/c1-3-6-7(4-2)10(12(15,16)17)19-9(11(13)14)8(6)5-18/h11H,3-4H2,1-2H3
InChIKeyVQAXSKFKZLWQDT-UHFFFAOYSA-N
XLogP4.03
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 23161389) is 2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile is CCc1c(C(F)(F)F)nc(C(F)F)c(C#N)c1CC.
What is the InChIKey of 2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is VQAXSKFKZLWQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5N2/c1-3-6-7(4-2)10(12(15,16)17)19-9(11(13)14)8(6)5-18/h11H,3-4H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 278.22 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4,5-diethyl-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 23161389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).