5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile

C8H4F5N3O — CID 133095321

IUPAC5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(OC(F)(F)F)c(N)c1C(F)F
InChIInChI=1S/C8H4F5N3O/c9-6(10)4-3(1-14)2-16-7(5(4)15)17-8(11,12)13/h2,6H,15H2
InChIKeyBONHOORGHYSISO-UHFFFAOYSA-N
MW253.13 g/mol
LogP2.37
Rot. Bonds2

About 5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile

5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 133095321) has the molecular formula C8H4F5N3O and a molecular weight of 253.13 g/mol. Its IUPAC name is 5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID133095321
Molecular FormulaC8H4F5N3O
Molecular Weight253.13 g/mol
Exact Mass253.03
IUPAC Name5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(OC(F)(F)F)c(N)c1C(F)F
InChIInChI=1S/C8H4F5N3O/c9-6(10)4-3(1-14)2-16-7(5(4)15)17-8(11,12)13/h2,6H,15H2
InChIKeyBONHOORGHYSISO-UHFFFAOYSA-N
XLogP2.37
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile (CID 133095321) is 5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1cnc(OC(F)(F)F)c(N)c1C(F)F.
What is the InChIKey of 5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is BONHOORGHYSISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5N3O/c9-6(10)4-3(1-14)2-16-7(5(4)15)17-8(11,12)13/h2,6H,15H2.
What are the key properties of 5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile?
5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 253.13 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 133095321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).