4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile

C15H12F3N3O — CID 171850900

IUPAC4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile
SMILESN#Cc1cc(N)cc(OCCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)11-3-1-10(2-4-11)5-6-22-14-8-12(20)7-13(9-19)21-14/h1-4,7-8H,5-6H2,(H2,20,21)
InChIKeyOAYLEUWNOFYUIH-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.18
Rot. Bonds4

About 4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile

4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile (PubChem CID 171850900) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile
PubChem CID171850900
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile
SMILESN#Cc1cc(N)cc(OCCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)11-3-1-10(2-4-11)5-6-22-14-8-12(20)7-13(9-19)21-14/h1-4,7-8H,5-6H2,(H2,20,21)
InChIKeyOAYLEUWNOFYUIH-UHFFFAOYSA-N
XLogP3.18
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile 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

2-methyl-6-(2-phenylethoxy)-4-(trifluoromethyl)pyridine
CID 23380586
6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile
CID 171850843
6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile
CID 171850919
5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile
CID 167619040
5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-amine;hydrochloride
CID 167468068
6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 174777830
4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile
CID 152757537
6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile
CID 122476956
2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine
CID 145361055
2-[4-(2-methoxyethyl)phenoxy]-6-methylpyrimidine-4-carbonitrile
CID 107545800
3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 103469607
3-[2-(4-aminophenyl)ethoxy]-5-methoxybenzonitrile
CID 103566552

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile?
The IUPAC name of 4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile (CID 171850900) is 4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile?
The canonical SMILES for 4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile is N#Cc1cc(N)cc(OCCc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile?
The InChIKey is OAYLEUWNOFYUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c16-15(17,18)11-3-1-10(2-4-11)5-6-22-14-8-12(20)7-13(9-19)21-14/h1-4,7-8H,5-6H2,(H2,20,21).
What are the key properties of 4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile?
4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile has a molecular weight of 307.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 171850900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).