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

C11H7F6N3 — CID 106213558

IUPAC6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H7F6N3/c12-10(13,14)7-2-1-6(5-18)8(19-7)20-9(3-4-9)11(15,16)17/h1-2H,3-4H2,(H,19,20)
InChIKeyUSQCOAWFFNBFQC-UHFFFAOYSA-N
MW295.19 g/mol
LogP3.48
Rot. Bonds2

About 6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile

6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile (PubChem CID 106213558) has the molecular formula C11H7F6N3 and a molecular weight of 295.19 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile
PubChem CID106213558
Molecular FormulaC11H7F6N3
Molecular Weight295.19 g/mol
Exact Mass295.05
IUPAC Name6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H7F6N3/c12-10(13,14)7-2-1-6(5-18)8(19-7)20-9(3-4-9)11(15,16)17/h1-2H,3-4H2,(H,19,20)
InChIKeyUSQCOAWFFNBFQC-UHFFFAOYSA-N
XLogP3.48
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile (CID 106213558) is 6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1NC1(C(F)(F)F)CC1.
What is the InChIKey of 6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile?
The InChIKey is USQCOAWFFNBFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6N3/c12-10(13,14)7-2-1-6(5-18)8(19-7)20-9(3-4-9)11(15,16)17/h1-2H,3-4H2,(H,19,20).
What are the key properties of 6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile?
6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile has a molecular weight of 295.19 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 106213558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).