4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile

C14H10F3N3O — CID 83267932

IUPAC4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile
SMILESCc1cnc(Oc2ccc(C#N)cc2C(F)(F)F)cc1N
InChIInChI=1S/C14H10F3N3O/c1-8-7-20-13(5-11(8)19)21-12-3-2-9(6-18)4-10(12)14(15,16)17/h2-5,7H,1H3,(H2,19,20)
InChIKeyASMUWZSWWYHNTR-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.65
Rot. Bonds2

About 4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile

4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile (PubChem CID 83267932) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile
PubChem CID83267932
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile
SMILESCc1cnc(Oc2ccc(C#N)cc2C(F)(F)F)cc1N
InChIInChI=1S/C14H10F3N3O/c1-8-7-20-13(5-11(8)19)21-12-3-2-9(6-18)4-10(12)14(15,16)17/h2-5,7H,1H3,(H2,19,20)
InChIKeyASMUWZSWWYHNTR-UHFFFAOYSA-N
XLogP3.65
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile 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-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile (CID 83267932) is 4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile is Cc1cnc(Oc2ccc(C#N)cc2C(F)(F)F)cc1N.
What is the InChIKey of 4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile?
The InChIKey is ASMUWZSWWYHNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-8-7-20-13(5-11(8)19)21-12-3-2-9(6-18)4-10(12)14(15,16)17/h2-5,7H,1H3,(H2,19,20).
What are the key properties of 4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile?
4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile has a molecular weight of 293.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 83267932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).