3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile

C11H11ClF3N3O — CID 75534675

IUPAC3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile
SMILESCC(COCC(F)(F)F)Nc1ccc(Cl)c(C#N)n1
InChIInChI=1S/C11H11ClF3N3O/c1-7(5-19-6-11(13,14)15)17-10-3-2-8(12)9(4-16)18-10/h2-3,7H,5-6H2,1H3,(H,17,18)
InChIKeyWQOSQYPBGHCARW-UHFFFAOYSA-N
MW293.68 g/mol
LogP2.99
Rot. Bonds5

About 3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile

3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile (PubChem CID 75534675) has the molecular formula C11H11ClF3N3O and a molecular weight of 293.68 g/mol. Its IUPAC name is 3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile
PubChem CID75534675
Molecular FormulaC11H11ClF3N3O
Molecular Weight293.68 g/mol
Exact Mass293.05
IUPAC Name3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile
SMILESCC(COCC(F)(F)F)Nc1ccc(Cl)c(C#N)n1
InChIInChI=1S/C11H11ClF3N3O/c1-7(5-19-6-11(13,14)15)17-10-3-2-8(12)9(4-16)18-10/h2-3,7H,5-6H2,1H3,(H,17,18)
InChIKeyWQOSQYPBGHCARW-UHFFFAOYSA-N
XLogP2.99
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile (CID 75534675) is 3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile is CC(COCC(F)(F)F)Nc1ccc(Cl)c(C#N)n1.
What is the InChIKey of 3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile?
The InChIKey is WQOSQYPBGHCARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O/c1-7(5-19-6-11(13,14)15)17-10-3-2-8(12)9(4-16)18-10/h2-3,7H,5-6H2,1H3,(H,17,18).
What are the key properties of 3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile?
3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile has a molecular weight of 293.68 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 75534675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).