2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine

C7H6F4N2 — CID 55267960

IUPAC2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine
SMILESNCCc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C7H6F4N2/c8-4-3(1-2-12)5(9)7(11)13-6(4)10/h1-2,12H2
InChIKeyKMVJLXQDTJYCMK-UHFFFAOYSA-N
MW194.13 g/mol
LogP1.14
Rot. Bonds2

About 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine

2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine (PubChem CID 55267960) has the molecular formula C7H6F4N2 and a molecular weight of 194.13 g/mol. Its IUPAC name is 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine
PubChem CID55267960
Molecular FormulaC7H6F4N2
Molecular Weight194.13 g/mol
Exact Mass194.05
IUPAC Name2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine
SMILESNCCc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C7H6F4N2/c8-4-3(1-2-12)5(9)7(11)13-6(4)10/h1-2,12H2
InChIKeyKMVJLXQDTJYCMK-UHFFFAOYSA-N
XLogP1.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 51.14
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 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine?
The IUPAC name of 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine (CID 55267960) is 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine is NCCc1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine?
The InChIKey is KMVJLXQDTJYCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2/c8-4-3(1-2-12)5(9)7(11)13-6(4)10/h1-2,12H2.
What are the key properties of 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine?
2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine has a molecular weight of 194.13 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine is sourced from PubChem (CID 55267960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).