6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile

C12H14F3N3 — CID 11276892

IUPAC6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCC(C)N(C)c1cc(C(F)(F)F)c(C#N)cn1
InChIInChI=1S/C12H14F3N3/c1-4-8(2)18(3)11-5-10(12(13,14)15)9(6-16)7-17-11/h5,7-8H,4H2,1-3H3
InChIKeyWMYGSHNEJKIIII-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.21
Rot. Bonds3

About 6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile

6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 11276892) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID11276892
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCC(C)N(C)c1cc(C(F)(F)F)c(C#N)cn1
InChIInChI=1S/C12H14F3N3/c1-4-8(2)18(3)11-5-10(12(13,14)15)9(6-16)7-17-11/h5,7-8H,4H2,1-3H3
InChIKeyWMYGSHNEJKIIII-UHFFFAOYSA-N
XLogP3.21
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 11276892) is 6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile is CCC(C)N(C)c1cc(C(F)(F)F)c(C#N)cn1.
What is the InChIKey of 6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is WMYGSHNEJKIIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-4-8(2)18(3)11-5-10(12(13,14)15)9(6-16)7-17-11/h5,7-8H,4H2,1-3H3.
What are the key properties of 6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 257.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butan-2-yl(methyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 11276892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).