2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile

C15H12F3N3O — CID 4633998

IUPAC2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2ccc(OC(F)(F)F)cc2)c1C
InChIInChI=1S/C15H12F3N3O/c1-8-9(2)21-14(20)12(7-19)13(8)10-3-5-11(6-4-10)22-15(16,17)18/h3-6H,1-2H3,(H2,20,21)
InChIKeySKKNSNWNELLCSV-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.72
Rot. Bonds2

About 2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile

2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile (PubChem CID 4633998) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
PubChem CID4633998
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2ccc(OC(F)(F)F)cc2)c1C
InChIInChI=1S/C15H12F3N3O/c1-8-9(2)21-14(20)12(7-19)13(8)10-3-5-11(6-4-10)22-15(16,17)18/h3-6H,1-2H3,(H2,20,21)
InChIKeySKKNSNWNELLCSV-UHFFFAOYSA-N
XLogP3.72
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 932580
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 3337530
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633632
2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 4633797
2-amino-6-ethyl-4-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3255838
2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 3362049
2-amino-4-(4-hydroxy-3-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 856296
2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 3546303
2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 71766459
2-amino-4-(2,6-dichlorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633995
10-[4-(trifluoromethoxy)phenyl]anthracene-9-carbonitrile
CID 170561650

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile (CID 4633998) is 2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile is Cc1nc(N)c(C#N)c(-c2ccc(OC(F)(F)F)cc2)c1C.
What is the InChIKey of 2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The InChIKey is SKKNSNWNELLCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-8-9(2)21-14(20)12(7-19)13(8)10-3-5-11(6-4-10)22-15(16,17)18/h3-6H,1-2H3,(H2,20,21).
What are the key properties of 2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile has a molecular weight of 307.28 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 4633998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).