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

C13H14FN3O — CID 172802298

IUPAC3-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine
SMILESNc1ccncc1Nc1ccccc1OCCF
InChIInChI=1S/C13H14FN3O/c14-6-8-18-13-4-2-1-3-11(13)17-12-9-16-7-5-10(12)15/h1-5,7,9,17H,6,8H2,(H2,15,16)
InChIKeyRAIFOHXYODBHTQ-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.76
Rot. Bonds5

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

3-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine (PubChem CID 172802298) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine
PubChem CID172802298
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name3-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine
SMILESNc1ccncc1Nc1ccccc1OCCF
InChIInChI=1S/C13H14FN3O/c14-6-8-18-13-4-2-1-3-11(13)17-12-9-16-7-5-10(12)15/h1-5,7,9,17H,6,8H2,(H2,15,16)
InChIKeyRAIFOHXYODBHTQ-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

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Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine?
The IUPAC name of 3-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine (CID 172802298) is 3-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine.
What is the SMILES notation for 3-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine?
The canonical SMILES for 3-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine is Nc1ccncc1Nc1ccccc1OCCF.
What is the InChIKey of 3-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine?
The InChIKey is RAIFOHXYODBHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-6-8-18-13-4-2-1-3-11(13)17-12-9-16-7-5-10(12)15/h1-5,7,9,17H,6,8H2,(H2,15,16).
What are the key properties of 3-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine?
3-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 3-N-[2-(2-fluoroethoxy)phenyl]pyridine-3,4-diamine is sourced from PubChem (CID 172802298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).