4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine

C11H8F3N3 — CID 113367916

IUPAC4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine
SMILESNc1cc(Nc2c(F)cc(F)cc2F)ccn1
InChIInChI=1S/C11H8F3N3/c12-6-3-8(13)11(9(14)4-6)17-7-1-2-16-10(15)5-7/h1-5H,(H3,15,16,17)
InChIKeyLNSJCOOIUKWRHS-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.82
Rot. Bonds2

About 4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine

4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine (PubChem CID 113367916) has the molecular formula C11H8F3N3 and a molecular weight of 239.20 g/mol. Its IUPAC name is 4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine
PubChem CID113367916
Molecular FormulaC11H8F3N3
Molecular Weight239.20 g/mol
Exact Mass239.07
IUPAC Name4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine
SMILESNc1cc(Nc2c(F)cc(F)cc2F)ccn1
InChIInChI=1S/C11H8F3N3/c12-6-3-8(13)11(9(14)4-6)17-7-1-2-16-10(15)5-7/h1-5H,(H3,15,16,17)
InChIKeyLNSJCOOIUKWRHS-UHFFFAOYSA-N
XLogP2.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine?
The IUPAC name of 4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine (CID 113367916) is 4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine?
The canonical SMILES for 4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine is Nc1cc(Nc2c(F)cc(F)cc2F)ccn1.
What is the InChIKey of 4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine?
The InChIKey is LNSJCOOIUKWRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3/c12-6-3-8(13)11(9(14)4-6)17-7-1-2-16-10(15)5-7/h1-5H,(H3,15,16,17).
What are the key properties of 4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine?
4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine has a molecular weight of 239.20 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4,6-trifluorophenyl)pyridine-2,4-diamine is sourced from PubChem (CID 113367916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).