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

C20H12Cl2F3N3O — CID 3337530

IUPAC2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc(N)c(C#N)c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H12Cl2F3N3O/c1-10-17(11-2-5-13(6-3-11)29-20(23,24)25)15(9-26)19(27)28-18(10)14-7-4-12(21)8-16(14)22/h2-8H,1H3,(H2,27,28)
InChIKeyPHDCSVDHAIGDNJ-UHFFFAOYSA-N
MW438.24 g/mol
LogP6.38
Rot. Bonds3

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

2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile (PubChem CID 3337530) has the molecular formula C20H12Cl2F3N3O and a molecular weight of 438.24 g/mol. Its IUPAC name is 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
PubChem CID3337530
Molecular FormulaC20H12Cl2F3N3O
Molecular Weight438.24 g/mol
Exact Mass437.03
IUPAC Name2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc(N)c(C#N)c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H12Cl2F3N3O/c1-10-17(11-2-5-13(6-3-11)29-20(23,24)25)15(9-26)19(27)28-18(10)14-7-4-12(21)8-16(14)22/h2-8H,1H3,(H2,27,28)
InChIKeyPHDCSVDHAIGDNJ-UHFFFAOYSA-N
XLogP6.38
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.24
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3330133
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3333698
2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3308725
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3337532
2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 4633998
2-amino-6-(2,5-dichlorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 3546303
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 3339409
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile
CID 3339406
2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
CID 3339403
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 3324008
2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3313314

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile (CID 3337530) is 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile is Cc1c(-c2ccc(Cl)cc2Cl)nc(N)c(C#N)c1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The InChIKey is PHDCSVDHAIGDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F3N3O/c1-10-17(11-2-5-13(6-3-11)29-20(23,24)25)15(9-26)19(27)28-18(10)14-7-4-12(21)8-16(14)22/h2-8H,1H3,(H2,27,28).
What are the key properties of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile has a molecular weight of 438.24 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 3337530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).