6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile

C14H10F3N3O — CID 133391829

IUPAC6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2ccc(OCC(F)(F)F)cc2)n1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)9-21-12-6-4-10(5-7-12)19-13-3-1-2-11(8-18)20-13/h1-7H,9H2,(H,19,20)
InChIKeyDOLPXJNUQZUGRY-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.64
Rot. Bonds4

About 6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile

6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile (PubChem CID 133391829) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
PubChem CID133391829
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2ccc(OCC(F)(F)F)cc2)n1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)9-21-12-6-4-10(5-7-12)19-13-3-1-2-11(8-18)20-13/h1-7H,9H2,(H,19,20)
InChIKeyDOLPXJNUQZUGRY-UHFFFAOYSA-N
XLogP3.64
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile (CID 133391829) is 6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile is N#Cc1cccc(Nc2ccc(OCC(F)(F)F)cc2)n1.
What is the InChIKey of 6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile?
The InChIKey is DOLPXJNUQZUGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)9-21-12-6-4-10(5-7-12)19-13-3-1-2-11(8-18)20-13/h1-7H,9H2,(H,19,20).
What are the key properties of 6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile?
6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile has a molecular weight of 293.25 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 133391829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).