2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine

C11HF9N2 — CID 13303728

IUPAC2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine
SMILESFc1nc(F)c(F)c(Nc2c(F)c(F)c(F)c(F)c2F)c1F
InChIInChI=1S/C11HF9N2/c12-1-2(13)4(15)8(5(16)3(1)14)21-9-6(17)10(19)22-11(20)7(9)18/h(H,21,22)
InChIKeyMUCHZIMFEUBANQ-UHFFFAOYSA-N
MW332.13 g/mol
LogP4.08
Rot. Bonds2

About 2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine

2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine (PubChem CID 13303728) has the molecular formula C11HF9N2 and a molecular weight of 332.13 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine
PubChem CID13303728
Molecular FormulaC11HF9N2
Molecular Weight332.13 g/mol
Exact Mass332.00
IUPAC Name2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine
SMILESFc1nc(F)c(F)c(Nc2c(F)c(F)c(F)c(F)c2F)c1F
InChIInChI=1S/C11HF9N2/c12-1-2(13)4(15)8(5(16)3(1)14)21-9-6(17)10(19)22-11(20)7(9)18/h(H,21,22)
InChIKeyMUCHZIMFEUBANQ-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.13
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine (CID 13303728) is 2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine is Fc1nc(F)c(F)c(Nc2c(F)c(F)c(F)c(F)c2F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine?
The InChIKey is MUCHZIMFEUBANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11HF9N2/c12-1-2(13)4(15)8(5(16)3(1)14)21-9-6(17)10(19)22-11(20)7(9)18/h(H,21,22).
What are the key properties of 2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine?
2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine has a molecular weight of 332.13 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine is sourced from PubChem (CID 13303728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).