6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine

C8H7F6N3O — CID 19755434

IUPAC6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1cc(C(F)(F)F)c(OCC(F)(F)F)nc1N
InChIInChI=1S/C8H7F6N3O/c9-7(10,11)2-18-6-3(8(12,13)14)1-4(15)5(16)17-6/h1H,2,15H2,(H2,16,17)
InChIKeyVOSQXBAOHSRUAX-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.21
Rot. Bonds2

About 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine

6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 19755434) has the molecular formula C8H7F6N3O and a molecular weight of 275.15 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID19755434
Molecular FormulaC8H7F6N3O
Molecular Weight275.15 g/mol
Exact Mass275.05
IUPAC Name6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1cc(C(F)(F)F)c(OCC(F)(F)F)nc1N
InChIInChI=1S/C8H7F6N3O/c9-7(10,11)2-18-6-3(8(12,13)14)1-4(15)5(16)17-6/h1H,2,15H2,(H2,16,17)
InChIKeyVOSQXBAOHSRUAX-UHFFFAOYSA-N
XLogP2.21
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine (CID 19755434) is 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine is Nc1cc(C(F)(F)F)c(OCC(F)(F)F)nc1N.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is VOSQXBAOHSRUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3O/c9-7(10,11)2-18-6-3(8(12,13)14)1-4(15)5(16)17-6/h1H,2,15H2,(H2,16,17).
What are the key properties of 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine?
6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 275.15 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 19755434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).