2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H14F3N3O — CID 79877225

IUPAC2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCC1(N)CCCC1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)10-4-3-9(7-17)11(19-10)20-8-12(18)5-1-2-6-12/h3-4H,1-2,5-6,8,18H2
InChIKeyYRVULLXYVDJWBZ-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.62
Rot. Bonds3

About 2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79877225) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79877225
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCC1(N)CCCC1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)10-4-3-9(7-17)11(19-10)20-8-12(18)5-1-2-6-12/h3-4H,1-2,5-6,8,18H2
InChIKeyYRVULLXYVDJWBZ-UHFFFAOYSA-N
XLogP2.62
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79877225) is 2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1OCC1(N)CCCC1.
What is the InChIKey of 2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is YRVULLXYVDJWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c14-13(15,16)10-4-3-9(7-17)11(19-10)20-8-12(18)5-1-2-6-12/h3-4H,1-2,5-6,8,18H2.
What are the key properties of 2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 285.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79877225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).