6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine

C11H8F4N4 — CID 107643324

IUPAC6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine
SMILESNc1ccc(Nc2c(F)c(F)cc(F)c2F)nc1N
InChIInChI=1S/C11H8F4N4/c12-4-3-5(13)9(15)10(8(4)14)18-7-2-1-6(16)11(17)19-7/h1-3H,16H2,(H3,17,18,19)
InChIKeyIEHRGAMHYBCISM-UHFFFAOYSA-N
MW272.20 g/mol
LogP2.55
Rot. Bonds2

About 6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine

6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine (PubChem CID 107643324) has the molecular formula C11H8F4N4 and a molecular weight of 272.20 g/mol. Its IUPAC name is 6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine
PubChem CID107643324
Molecular FormulaC11H8F4N4
Molecular Weight272.20 g/mol
Exact Mass272.07
IUPAC Name6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine
SMILESNc1ccc(Nc2c(F)c(F)cc(F)c2F)nc1N
InChIInChI=1S/C11H8F4N4/c12-4-3-5(13)9(15)10(8(4)14)18-7-2-1-6(16)11(17)19-7/h1-3H,16H2,(H3,17,18,19)
InChIKeyIEHRGAMHYBCISM-UHFFFAOYSA-N
XLogP2.55
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine (CID 107643324) is 6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine is Nc1ccc(Nc2c(F)c(F)cc(F)c2F)nc1N.
What is the InChIKey of 6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine?
The InChIKey is IEHRGAMHYBCISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N4/c12-4-3-5(13)9(15)10(8(4)14)18-7-2-1-6(16)11(17)19-7/h1-3H,16H2,(H3,17,18,19).
What are the key properties of 6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine?
6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine has a molecular weight of 272.20 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 107643324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).