2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H14F3N3 — CID 78966717

IUPAC2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCN(CC1CC1)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H14F3N3/c1-2-19(8-9-3-4-9)12-10(7-17)5-6-11(18-12)13(14,15)16/h5-6,9H,2-4,8H2,1H3
InChIKeyZTIXOZAMFQWJGN-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.21
Rot. Bonds4

About 2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78966717) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78966717
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCN(CC1CC1)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H14F3N3/c1-2-19(8-9-3-4-9)12-10(7-17)5-6-11(18-12)13(14,15)16/h5-6,9H,2-4,8H2,1H3
InChIKeyZTIXOZAMFQWJGN-UHFFFAOYSA-N
XLogP3.21
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78966717) is 2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CCN(CC1CC1)c1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is ZTIXOZAMFQWJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-2-19(8-9-3-4-9)12-10(7-17)5-6-11(18-12)13(14,15)16/h5-6,9H,2-4,8H2,1H3.
What are the key properties of 2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 269.27 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78966717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).