6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile

C13H8F3N3O — CID 133392141

IUPAC6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C13H8F3N3O/c14-10-6-8(4-5-11(10)20-13(15)16)18-12-3-1-2-9(7-17)19-12/h1-6,13H,(H,18,19)
InChIKeyJLTQOKZFURADGG-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.44
Rot. Bonds4

About 6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile

6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile (PubChem CID 133392141) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile
PubChem CID133392141
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/C13H8F3N3O/c14-10-6-8(4-5-11(10)20-13(15)16)18-12-3-1-2-9(7-17)19-12/h1-6,13H,(H,18,19)
InChIKeyJLTQOKZFURADGG-UHFFFAOYSA-N
XLogP3.44
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile (CID 133392141) is 6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile is N#Cc1cccc(Nc2ccc(OC(F)F)c(F)c2)n1.
What is the InChIKey of 6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile?
The InChIKey is JLTQOKZFURADGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-10-6-8(4-5-11(10)20-13(15)16)18-12-3-1-2-9(7-17)19-12/h1-6,13H,(H,18,19).
What are the key properties of 6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile?
6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile has a molecular weight of 279.22 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).