2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

C11H12F3N3 — CID 78966408

IUPAC2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)CNc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H12F3N3/c1-7(2)6-16-10-8(5-15)3-4-9(17-10)11(12,13)14/h3-4,7H,6H2,1-2H3,(H,16,17)
InChIKeyLMJXTTJUOKYKGS-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.04
Rot. Bonds3

About 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78966408) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78966408
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)CNc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H12F3N3/c1-7(2)6-16-10-8(5-15)3-4-9(17-10)11(12,13)14/h3-4,7H,6H2,1-2H3,(H,16,17)
InChIKeyLMJXTTJUOKYKGS-UHFFFAOYSA-N
XLogP3.04
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78966408) is 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is CC(C)CNc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is LMJXTTJUOKYKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-7(2)6-16-10-8(5-15)3-4-9(17-10)11(12,13)14/h3-4,7H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 243.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78966408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).