5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile

C9H8F3N3O — CID 66276281

IUPAC5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile
SMILESCC(Oc1ncc(N)cc1C#N)C(F)(F)F
InChIInChI=1S/C9H8F3N3O/c1-5(9(10,11)12)16-8-6(3-13)2-7(14)4-15-8/h2,4-5H,14H2,1H3
InChIKeyPWUWUZUMIBZACU-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.87
Rot. Bonds2

About 5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile

5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile (PubChem CID 66276281) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile
PubChem CID66276281
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile
SMILESCC(Oc1ncc(N)cc1C#N)C(F)(F)F
InChIInChI=1S/C9H8F3N3O/c1-5(9(10,11)12)16-8-6(3-13)2-7(14)4-15-8/h2,4-5H,14H2,1H3
InChIKeyPWUWUZUMIBZACU-UHFFFAOYSA-N
XLogP1.87
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile (CID 66276281) is 5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile is CC(Oc1ncc(N)cc1C#N)C(F)(F)F.
What is the InChIKey of 5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile?
The InChIKey is PWUWUZUMIBZACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-5(9(10,11)12)16-8-6(3-13)2-7(14)4-15-8/h2,4-5H,14H2,1H3.
What are the key properties of 5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile?
5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile has a molecular weight of 231.18 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile is sourced from PubChem (CID 66276281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).