6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine

C9H11F4N3O — CID 114169053

IUPAC6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
SMILESCOc1nc(NCC(F)(F)C(F)F)ccc1N
InChIInChI=1S/C9H11F4N3O/c1-17-7-5(14)2-3-6(16-7)15-4-9(12,13)8(10)11/h2-3,8H,4,14H2,1H3,(H,15,16)
InChIKeyHEZOJYGHIDYVFK-UHFFFAOYSA-N
MW253.20 g/mol
LogP1.98
Rot. Bonds5

About 6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine

6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine (PubChem CID 114169053) has the molecular formula C9H11F4N3O and a molecular weight of 253.20 g/mol. Its IUPAC name is 6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
PubChem CID114169053
Molecular FormulaC9H11F4N3O
Molecular Weight253.20 g/mol
Exact Mass253.08
IUPAC Name6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
SMILESCOc1nc(NCC(F)(F)C(F)F)ccc1N
InChIInChI=1S/C9H11F4N3O/c1-17-7-5(14)2-3-6(16-7)15-4-9(12,13)8(10)11/h2-3,8H,4,14H2,1H3,(H,15,16)
InChIKeyHEZOJYGHIDYVFK-UHFFFAOYSA-N
XLogP1.98
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine?
The IUPAC name of 6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine (CID 114169053) is 6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine?
The canonical SMILES for 6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine is COc1nc(NCC(F)(F)C(F)F)ccc1N.
What is the InChIKey of 6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine?
The InChIKey is HEZOJYGHIDYVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4N3O/c1-17-7-5(14)2-3-6(16-7)15-4-9(12,13)8(10)11/h2-3,8H,4,14H2,1H3,(H,15,16).
What are the key properties of 6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine?
6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine has a molecular weight of 253.20 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine is sourced from PubChem (CID 114169053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).