N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine

C7H7F4N3 — CID 11615416

IUPACN'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine
SMILESNCCNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C7H7F4N3/c8-3-5(13-2-1-12)4(9)7(11)14-6(3)10/h1-2,12H2,(H,13,14)
InChIKeyDGPLHBDJAGYXTG-UHFFFAOYSA-N
MW209.15 g/mol
LogP1.01
Rot. Bonds3

About N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine

N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine (PubChem CID 11615416) has the molecular formula C7H7F4N3 and a molecular weight of 209.15 g/mol. Its IUPAC name is N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine
PubChem CID11615416
Molecular FormulaC7H7F4N3
Molecular Weight209.15 g/mol
Exact Mass209.06
IUPAC NameN'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine
SMILESNCCNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C7H7F4N3/c8-3-5(13-2-1-12)4(9)7(11)14-6(3)10/h1-2,12H2,(H,13,14)
InChIKeyDGPLHBDJAGYXTG-UHFFFAOYSA-N
XLogP1.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-2,3,5,6-tetrafluoropyridine
CID 1270911
4-(Dimethylamino)-2,3,5,6-tetrafluoropyridine
CID 853684
N,N'-bis(2,3,5,6-tetrafluoropyridin-4-yl)propane-1,3-diamine
CID 3973534
3,5-Difluoro-4-pyridinamine
CID 2737654
2,6-Difluoro-N-methylpyridin-4-amine
CID 122669948
4-Diethylamino-2,3,5,6-tetrafluoropyridine
CID 14400537
4-(t-Butylamino)-2,3,5,6-tetrafluoropyridine
CID 22121159
2,3,5,6-Tetrafluoro-4-(piperidin-1-yl)pyridin
CID 23441913
N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine
CID 4561709
2-[(2,3,5,6-Tetrafluoro-4-pyridinyl)amino]ethanol
CID 24047806
1-(3,5-Difluoropyridin-4-yl)piperazine
CID 44668350
N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide
CID 11298724

Frequently Asked Questions

What is the IUPAC name of N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine (CID 11615416) is N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine is NCCNc1c(F)c(F)nc(F)c1F.
What is the InChIKey of N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine?
The InChIKey is DGPLHBDJAGYXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3/c8-3-5(13-2-1-12)4(9)7(11)14-6(3)10/h1-2,12H2,(H,13,14).
What are the key properties of N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine?
N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine has a molecular weight of 209.15 g/mol, XLogP of 1.01, 3 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)ethane-1,2-diamine is sourced from PubChem (CID 11615416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).