6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine

C13H12F3N3O — CID 43261409

IUPAC6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine
SMILESCCOc1nc(Nc2ccc(F)c(F)c2F)ccc1N
InChIInChI=1S/C13H12F3N3O/c1-2-20-13-8(17)4-6-10(19-13)18-9-5-3-7(14)11(15)12(9)16/h3-6H,2,17H2,1H3,(H,18,19)
InChIKeyCBTBBSQWIWQDQY-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.22
Rot. Bonds4

About 6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine

6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine (PubChem CID 43261409) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine
PubChem CID43261409
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine
SMILESCCOc1nc(Nc2ccc(F)c(F)c2F)ccc1N
InChIInChI=1S/C13H12F3N3O/c1-2-20-13-8(17)4-6-10(19-13)18-9-5-3-7(14)11(15)12(9)16/h3-6H,2,17H2,1H3,(H,18,19)
InChIKeyCBTBBSQWIWQDQY-UHFFFAOYSA-N
XLogP3.22
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine?
The IUPAC name of 6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine (CID 43261409) is 6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine?
The canonical SMILES for 6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine is CCOc1nc(Nc2ccc(F)c(F)c2F)ccc1N.
What is the InChIKey of 6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine?
The InChIKey is CBTBBSQWIWQDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-2-20-13-8(17)4-6-10(19-13)18-9-5-3-7(14)11(15)12(9)16/h3-6H,2,17H2,1H3,(H,18,19).
What are the key properties of 6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine?
6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine has a molecular weight of 283.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine is sourced from PubChem (CID 43261409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).