3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile

C15H14FN3O — CID 107665502

IUPAC3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile
SMILESCNC(C)c1ccc(Oc2ccc(C#N)cc2F)nc1
InChIInChI=1S/C15H14FN3O/c1-10(18-2)12-4-6-15(19-9-12)20-14-5-3-11(8-17)7-13(14)16/h3-7,9-10,18H,1-2H3
InChIKeyLBMYDWJIPBEBDQ-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.17
Rot. Bonds4

About 3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile

3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile (PubChem CID 107665502) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile
PubChem CID107665502
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile
SMILESCNC(C)c1ccc(Oc2ccc(C#N)cc2F)nc1
InChIInChI=1S/C15H14FN3O/c1-10(18-2)12-4-6-15(19-9-12)20-14-5-3-11(8-17)7-13(14)16/h3-7,9-10,18H,1-2H3
InChIKeyLBMYDWJIPBEBDQ-UHFFFAOYSA-N
XLogP3.17
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-fluoro-4-[4-fluoro-2-[1-(methylamino)ethyl]phenoxy]benzonitrile
CID 107665492
2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
CID 107664811
4-[3-chloro-4-[1-(methylamino)ethyl]phenoxy]-3-fluorobenzonitrile
CID 107665547
3-fluoro-4-[4-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 107666062
3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 107669861
(1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine
CID 174273133
6-(2-fluorophenoxy)pyridine-3-carbonitrile
CID 24698553
3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile
CID 107666140
3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile
CID 107669732
3-fluoro-4-[3-(propan-2-ylamino)propoxy]benzonitrile
CID 62348292
4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 107670102
5-chloro-2-(4-cyano-2-fluorophenoxy)pyridine-4-carboxylic acid
CID 107670303

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile?
The IUPAC name of 3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile (CID 107665502) is 3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile is CNC(C)c1ccc(Oc2ccc(C#N)cc2F)nc1.
What is the InChIKey of 3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile?
The InChIKey is LBMYDWJIPBEBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-10(18-2)12-4-6-15(19-9-12)20-14-5-3-11(8-17)7-13(14)16/h3-7,9-10,18H,1-2H3.
What are the key properties of 3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile?
3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile has a molecular weight of 271.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 107665502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).