5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile

C11H10F3N3 — CID 115487615

IUPAC5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N(CC(F)(F)F)C2CC2)cn1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)7-17(9-3-4-9)10-2-1-8(5-15)16-6-10/h1-2,6,9H,3-4,7H2
InChIKeyGNOAKMPORXQACF-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.48
Rot. Bonds3

About 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile

5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile (PubChem CID 115487615) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile
PubChem CID115487615
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N(CC(F)(F)F)C2CC2)cn1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)7-17(9-3-4-9)10-2-1-8(5-15)16-6-10/h1-2,6,9H,3-4,7H2
InChIKeyGNOAKMPORXQACF-UHFFFAOYSA-N
XLogP2.48
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 102815940
5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile
CID 115490430
5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile
CID 133397299
4-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)aniline
CID 107082234
5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile
CID 115487744
3-bromo-5-[cyclopropyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 102815939
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzonitrile
CID 107933624
5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 113320538
5-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 62492568
5-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile
CID 115487708
5-[(Z)-2-cyclohexylethenyl]pyridine-2-carbonitrile
CID 58495654
12-chloro-13-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
CID 67248695

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile (CID 115487615) is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile is N#Cc1ccc(N(CC(F)(F)F)C2CC2)cn1.
What is the InChIKey of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile?
The InChIKey is GNOAKMPORXQACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)7-17(9-3-4-9)10-2-1-8(5-15)16-6-10/h1-2,6,9H,3-4,7H2.
What are the key properties of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile?
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile has a molecular weight of 241.22 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 115487615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).