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

C7H5F4N3 — CID 76764470

IUPACN'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanimidamide
SMILESC/C(N)=N\c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C7H5F4N3/c1-2(12)13-5-3(8)6(10)14-7(11)4(5)9/h1H3,(H2,12,13,14)
InChIKeyACUUMSAJNXQMAW-UHFFFAOYSA-N
MW207.13 g/mol
LogP1.65
Rot. Bonds1

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

N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanimidamide (PubChem CID 76764470) has the molecular formula C7H5F4N3 and a molecular weight of 207.13 g/mol. Its IUPAC name is N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanimidamide
PubChem CID76764470
Molecular FormulaC7H5F4N3
Molecular Weight207.13 g/mol
Exact Mass207.04
IUPAC NameN'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanimidamide
SMILESC/C(N)=N\c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C7H5F4N3/c1-2(12)13-5-3(8)6(10)14-7(11)4(5)9/h1H3,(H2,12,13,14)
InChIKeyACUUMSAJNXQMAW-UHFFFAOYSA-N
XLogP1.65
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.13
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanimidamide?
The IUPAC name of N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanimidamide (CID 76764470) is N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanimidamide.
What is the SMILES notation for N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanimidamide?
The canonical SMILES for N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanimidamide is C/C(N)=N\c1c(F)c(F)nc(F)c1F.
What is the InChIKey of N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanimidamide?
The InChIKey is ACUUMSAJNXQMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4N3/c1-2(12)13-5-3(8)6(10)14-7(11)4(5)9/h1H3,(H2,12,13,14).
What are the key properties of N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanimidamide?
N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanimidamide has a molecular weight of 207.13 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanimidamide is sourced from PubChem (CID 76764470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).