3,5,6-trifluoropyridin-2-amine

C5H3F3N2 — CID 12508074

IUPAC3,5,6-trifluoropyridin-2-amine
SMILESNc1nc(F)c(F)cc1F
InChIInChI=1S/C5H3F3N2/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H2,9,10)
InChIKeyNKEJHBNYXQTAKY-UHFFFAOYSA-N
MW148.09 g/mol
LogP1.08
Rot. Bonds

About 3,5,6-trifluoropyridin-2-amine

3,5,6-trifluoropyridin-2-amine (PubChem CID 12508074) has the molecular formula C5H3F3N2 and a molecular weight of 148.09 g/mol. Its IUPAC name is 3,5,6-trifluoropyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trifluoropyridin-2-amine
PubChem CID12508074
Molecular FormulaC5H3F3N2
Molecular Weight148.09 g/mol
Exact Mass148.02
IUPAC Name3,5,6-trifluoropyridin-2-amine
SMILESNc1nc(F)c(F)cc1F
InChIInChI=1S/C5H3F3N2/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H2,9,10)
InChIKeyNKEJHBNYXQTAKY-UHFFFAOYSA-N
XLogP1.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.09
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3,5,6-trifluoropyridin-2-amine?
The IUPAC name of 3,5,6-trifluoropyridin-2-amine (CID 12508074) is 3,5,6-trifluoropyridin-2-amine.
What is the SMILES notation for 3,5,6-trifluoropyridin-2-amine?
The canonical SMILES for 3,5,6-trifluoropyridin-2-amine is Nc1nc(F)c(F)cc1F.
What is the InChIKey of 3,5,6-trifluoropyridin-2-amine?
The InChIKey is NKEJHBNYXQTAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H2,9,10).
What are the key properties of 3,5,6-trifluoropyridin-2-amine?
3,5,6-trifluoropyridin-2-amine has a molecular weight of 148.09 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trifluoropyridin-2-amine is sourced from PubChem (CID 12508074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).