N-(2,3,5,6-tetrafluoro-4-pyridinyl)hydroxylamine

C5H2F4N2O — CID 13498926

IUPACN-(2,3,5,6-tetrafluoro-4-pyridinyl)hydroxylamine
SMILESONc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C5H2F4N2O/c6-1-3(11-12)2(7)5(9)10-4(1)8/h12H,(H,10,11)
InChIKeyNDCBSPSGXKVZLO-UHFFFAOYSA-N
MW182.08 g/mol
LogP1.44
Rot. Bonds1

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

N-(2,3,5,6-tetrafluoro-4-pyridinyl)hydroxylamine (PubChem CID 13498926) has the molecular formula C5H2F4N2O and a molecular weight of 182.08 g/mol. Its IUPAC name is N-(2,3,5,6-tetrafluoro-4-pyridinyl)hydroxylamine.

Molecular Properties

Compound NameN-(2,3,5,6-tetrafluoro-4-pyridinyl)hydroxylamine
PubChem CID13498926
Molecular FormulaC5H2F4N2O
Molecular Weight182.08 g/mol
Exact Mass182.01
IUPAC NameN-(2,3,5,6-tetrafluoro-4-pyridinyl)hydroxylamine
SMILESONc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C5H2F4N2O/c6-1-3(11-12)2(7)5(9)10-4(1)8/h12H,(H,10,11)
InChIKeyNDCBSPSGXKVZLO-UHFFFAOYSA-N
XLogP1.44
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.08
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6-tetrafluoro-4-pyridinyl)hydroxylamine?
The IUPAC name of N-(2,3,5,6-tetrafluoro-4-pyridinyl)hydroxylamine (CID 13498926) is N-(2,3,5,6-tetrafluoro-4-pyridinyl)hydroxylamine.
What is the SMILES notation for N-(2,3,5,6-tetrafluoro-4-pyridinyl)hydroxylamine?
The canonical SMILES for N-(2,3,5,6-tetrafluoro-4-pyridinyl)hydroxylamine is ONc1c(F)c(F)nc(F)c1F.
What is the InChIKey of N-(2,3,5,6-tetrafluoro-4-pyridinyl)hydroxylamine?
The InChIKey is NDCBSPSGXKVZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F4N2O/c6-1-3(11-12)2(7)5(9)10-4(1)8/h12H,(H,10,11).
What are the key properties of N-(2,3,5,6-tetrafluoro-4-pyridinyl)hydroxylamine?
N-(2,3,5,6-tetrafluoro-4-pyridinyl)hydroxylamine has a molecular weight of 182.08 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6-tetrafluoro-4-pyridinyl)hydroxylamine is sourced from PubChem (CID 13498926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).