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

C13H14F3N3O — CID 78966304

IUPAC2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NC1CCCCC1O
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)11-6-5-8(7-17)12(19-11)18-9-3-1-2-4-10(9)20/h5-6,9-10,20H,1-4H2,(H,18,19)
InChIKeyNTKMLAQWXSCXLB-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.69
Rot. Bonds2

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

2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78966304) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78966304
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NC1CCCCC1O
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)11-6-5-8(7-17)12(19-11)18-9-3-1-2-4-10(9)20/h5-6,9-10,20H,1-4H2,(H,18,19)
InChIKeyNTKMLAQWXSCXLB-UHFFFAOYSA-N
XLogP2.69
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78966304) is 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1NC1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is NTKMLAQWXSCXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c14-13(15,16)11-6-5-8(7-17)12(19-11)18-9-3-1-2-4-10(9)20/h5-6,9-10,20H,1-4H2,(H,18,19).
What are the key properties of 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 285.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78966304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).