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

C13H14FN3O — CID 113399696

IUPAC5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine
SMILESCCOc1ccc(Nc2ccc(N)nc2)cc1F
InChIInChI=1S/C13H14FN3O/c1-2-18-12-5-3-9(7-11(12)14)17-10-4-6-13(15)16-8-10/h3-8,17H,2H2,1H3,(H2,15,16)
InChIKeyGLPGLLPWFDBRSS-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.95
Rot. Bonds4

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

5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine (PubChem CID 113399696) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine
PubChem CID113399696
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine
SMILESCCOc1ccc(Nc2ccc(N)nc2)cc1F
InChIInChI=1S/C13H14FN3O/c1-2-18-12-5-3-9(7-11(12)14)17-10-4-6-13(15)16-8-10/h3-8,17H,2H2,1H3,(H2,15,16)
InChIKeyGLPGLLPWFDBRSS-UHFFFAOYSA-N
XLogP2.95
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104535772
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine
CID 103078820
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 113399790
N-(2-chloroethyl)-4-ethoxy-3-fluoroaniline
CID 115214595
5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106964549
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
CID 106877436
6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine
CID 113399791
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine
CID 112699315
N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine
CID 106579930

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine (CID 113399696) is 5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine is CCOc1ccc(Nc2ccc(N)nc2)cc1F.
What is the InChIKey of 5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine?
The InChIKey is GLPGLLPWFDBRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-2-18-12-5-3-9(7-11(12)14)17-10-4-6-13(15)16-8-10/h3-8,17H,2H2,1H3,(H2,15,16).
What are the key properties of 5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine?
5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine has a molecular weight of 247.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine is sourced from PubChem (CID 113399696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).