2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

C11H12F3N3 — CID 78966207

IUPAC2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)(C)Nc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H12F3N3/c1-10(2,3)17-9-7(6-15)4-5-8(16-9)11(12,13)14/h4-5H,1-3H3,(H,16,17)
InChIKeyMHSVTCYQOBJVFB-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.18
Rot. Bonds1

About 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78966207) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78966207
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)(C)Nc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H12F3N3/c1-10(2,3)17-9-7(6-15)4-5-8(16-9)11(12,13)14/h4-5H,1-3H3,(H,16,17)
InChIKeyMHSVTCYQOBJVFB-UHFFFAOYSA-N
XLogP3.18
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966408
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103768343
2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-2-cyclopropylpropanoic acid
CID 79874530
N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 78965975
2-(3-methylbut-2-enylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103525261
2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 113236782
2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877084
2-[(1-hydroxycyclobutyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115629510
2-[(4-methoxy-2,2-dimethylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 104624076
N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 78966293
2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 71503682
2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966118

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78966207) is 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is CC(C)(C)Nc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is MHSVTCYQOBJVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-10(2,3)17-9-7(6-15)4-5-8(16-9)11(12,13)14/h4-5H,1-3H3,(H,16,17).
What are the key properties of 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 243.23 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78966207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).