6-fluoro-3-(trifluoromethoxy)pyridin-2-amine

C6H4F4N2O — CID 119001423

IUPAC6-fluoro-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nc(F)ccc1OC(F)(F)F
InChIInChI=1S/C6H4F4N2O/c7-4-2-1-3(5(11)12-4)13-6(8,9)10/h1-2H,(H2,11,12)
InChIKeySVYZSCALFMGDFB-UHFFFAOYSA-N
MW196.10 g/mol
LogP1.70
Rot. Bonds1

About 6-fluoro-3-(trifluoromethoxy)pyridin-2-amine

6-fluoro-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 119001423) has the molecular formula C6H4F4N2O and a molecular weight of 196.10 g/mol. Its IUPAC name is 6-fluoro-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID119001423
Molecular FormulaC6H4F4N2O
Molecular Weight196.10 g/mol
Exact Mass196.03
IUPAC Name6-fluoro-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nc(F)ccc1OC(F)(F)F
InChIInChI=1S/C6H4F4N2O/c7-4-2-1-3(5(11)12-4)13-6(8,9)10/h1-2H,(H2,11,12)
InChIKeySVYZSCALFMGDFB-UHFFFAOYSA-N
XLogP1.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 6-fluoro-3-(trifluoromethoxy)pyridin-2-amine (CID 119001423) is 6-fluoro-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 6-fluoro-3-(trifluoromethoxy)pyridin-2-amine is Nc1nc(F)ccc1OC(F)(F)F.
What is the InChIKey of 6-fluoro-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is SVYZSCALFMGDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2O/c7-4-2-1-3(5(11)12-4)13-6(8,9)10/h1-2H,(H2,11,12).
What are the key properties of 6-fluoro-3-(trifluoromethoxy)pyridin-2-amine?
6-fluoro-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 196.10 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 119001423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).