6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C14H14F3N3 — CID 1480183

IUPAC6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C2CC2)nc1N1CCCC1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)11-7-12(9-3-4-9)19-13(10(11)8-18)20-5-1-2-6-20/h7,9H,1-6H2
InChIKeyIQKPKZKBLUCSBG-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.45
Rot. Bonds2

About 6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 1480183) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID1480183
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C2CC2)nc1N1CCCC1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)11-7-12(9-3-4-9)19-13(10(11)8-18)20-5-1-2-6-20/h7,9H,1-6H2
InChIKeyIQKPKZKBLUCSBG-UHFFFAOYSA-N
XLogP3.45
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 1480183) is 6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(C2CC2)nc1N1CCCC1.
What is the InChIKey of 6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is IQKPKZKBLUCSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)11-7-12(9-3-4-9)19-13(10(11)8-18)20-5-1-2-6-20/h7,9H,1-6H2.
What are the key properties of 6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 281.28 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 1480183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).