2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile

C7H5F3N4O — CID 133095435

IUPAC2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(OC(F)(F)F)nc1N
InChIInChI=1S/C7H5F3N4O/c8-7(9,10)15-5-1-4(12)3(2-11)6(13)14-5/h1H,(H4,12,13,14)
InChIKeyKETFXUQHNHIUID-UHFFFAOYSA-N
MW218.14 g/mol
LogP1.02
Rot. Bonds1

About 2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile

2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 133095435) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is 2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID133095435
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(OC(F)(F)F)nc1N
InChIInChI=1S/C7H5F3N4O/c8-7(9,10)15-5-1-4(12)3(2-11)6(13)14-5/h1H,(H4,12,13,14)
InChIKeyKETFXUQHNHIUID-UHFFFAOYSA-N
XLogP1.02
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine
CID 119000437
4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279572
2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119014677
2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119001123
2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025074
4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118844616
3,4-difluoro-6-(trifluoromethoxy)pyridin-2-amine
CID 130094119
6-(trifluoromethoxy)pyridine-2,3-diamine
CID 118991615
6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630346
3-bromo-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 119020338
3-fluoro-2-methyl-6-(trifluoromethoxy)pyridin-4-amine
CID 118806561
2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 3362049

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile (CID 133095435) is 2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1c(N)cc(OC(F)(F)F)nc1N.
What is the InChIKey of 2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is KETFXUQHNHIUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c8-7(9,10)15-5-1-4(12)3(2-11)6(13)14-5/h1H,(H4,12,13,14).
What are the key properties of 2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile?
2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 218.14 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 133095435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).