3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine

C13H9F4N3 — CID 145192695

IUPAC3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine
SMILES[H]/N=C(\C)c1ccc(-c2c(F)c(F)cc(F)c2F)nc1N
InChIInChI=1S/C13H9F4N3/c1-5(18)6-2-3-9(20-13(6)19)10-11(16)7(14)4-8(15)12(10)17/h2-4,18H,1H3,(H2,19,20)/b18-5+
InChIKeyUBFHDOWMFYXNNG-BLLMUTORSA-N
MW283.23 g/mol
LogP3.27
Rot. Bonds2

About 3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine

3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine (PubChem CID 145192695) has the molecular formula C13H9F4N3 and a molecular weight of 283.23 g/mol. Its IUPAC name is 3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine
PubChem CID145192695
Molecular FormulaC13H9F4N3
Molecular Weight283.23 g/mol
Exact Mass283.07
IUPAC Name3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine
SMILES[H]/N=C(\C)c1ccc(-c2c(F)c(F)cc(F)c2F)nc1N
InChIInChI=1S/C13H9F4N3/c1-5(18)6-2-3-9(20-13(6)19)10-11(16)7(14)4-8(15)12(10)17/h2-4,18H,1H3,(H2,19,20)/b18-5+
InChIKeyUBFHDOWMFYXNNG-BLLMUTORSA-N
XLogP3.27
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine?
The IUPAC name of 3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine (CID 145192695) is 3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine.
What is the SMILES notation for 3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine?
The canonical SMILES for 3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine is [H]/N=C(\C)c1ccc(-c2c(F)c(F)cc(F)c2F)nc1N.
What is the InChIKey of 3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine?
The InChIKey is UBFHDOWMFYXNNG-BLLMUTORSA-N. The full InChI is InChI=1S/C13H9F4N3/c1-5(18)6-2-3-9(20-13(6)19)10-11(16)7(14)4-8(15)12(10)17/h2-4,18H,1H3,(H2,19,20)/b18-5+.
What are the key properties of 3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine?
3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine has a molecular weight of 283.23 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine is sourced from PubChem (CID 145192695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).