4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine

C13H14FN3O — CID 90452376

IUPAC4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine
SMILESNc1cnccc1Nc1ccccc1OCCF
InChIInChI=1S/C13H14FN3O/c14-6-8-18-13-4-2-1-3-12(13)17-11-5-7-16-9-10(11)15/h1-5,7,9H,6,8,15H2,(H,16,17)
InChIKeyPULFYDAGNKTUPK-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.76
Rot. Bonds5

About 4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine

4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine (PubChem CID 90452376) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine
PubChem CID90452376
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine
SMILESNc1cnccc1Nc1ccccc1OCCF
InChIInChI=1S/C13H14FN3O/c14-6-8-18-13-4-2-1-3-12(13)17-11-5-7-16-9-10(11)15/h1-5,7,9H,6,8,15H2,(H,16,17)
InChIKeyPULFYDAGNKTUPK-UHFFFAOYSA-N
XLogP2.76
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine (CID 90452376) is 4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine is Nc1cnccc1Nc1ccccc1OCCF.
What is the InChIKey of 4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine?
The InChIKey is PULFYDAGNKTUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-6-8-18-13-4-2-1-3-12(13)17-11-5-7-16-9-10(11)15/h1-5,7,9H,6,8,15H2,(H,16,17).
What are the key properties of 4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine?
4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine has a molecular weight of 247.27 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine is sourced from PubChem (CID 90452376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).