3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile

C11H10F3N3 — CID 106212165

IUPAC3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)10(3-4-10)17-7-8-2-1-5-16-9(8)6-15/h1-2,5,17H,3-4,7H2
InChIKeyLURQOUXYSNPQJF-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.14
Rot. Bonds3

About 3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile

3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile (PubChem CID 106212165) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile
PubChem CID106212165
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)10(3-4-10)17-7-8-2-1-5-16-9(8)6-15/h1-2,5,17H,3-4,7H2
InChIKeyLURQOUXYSNPQJF-UHFFFAOYSA-N
XLogP2.14
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile (CID 106212165) is 3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CNC1(C(F)(F)F)CC1.
What is the InChIKey of 3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile?
The InChIKey is LURQOUXYSNPQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)10(3-4-10)17-7-8-2-1-5-16-9(8)6-15/h1-2,5,17H,3-4,7H2.
What are the key properties of 3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile?
3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile has a molecular weight of 241.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 106212165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).