2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H16F3N3O — CID 103768343

IUPAC2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCC(C)(CCO)Nc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H16F3N3O/c1-3-12(2,6-7-20)19-11-9(8-17)4-5-10(18-11)13(14,15)16/h4-5,20H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyFITVRUAVNAQWNB-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.94
Rot. Bonds5

About 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 103768343) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID103768343
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCC(C)(CCO)Nc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H16F3N3O/c1-3-12(2,6-7-20)19-11-9(8-17)4-5-10(18-11)13(14,15)16/h4-5,20H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyFITVRUAVNAQWNB-UHFFFAOYSA-N
XLogP2.94
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 103768343) is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CCC(C)(CCO)Nc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is FITVRUAVNAQWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-3-12(2,6-7-20)19-11-9(8-17)4-5-10(18-11)13(14,15)16/h4-5,20H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 287.28 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 103768343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).