5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile

C12H6Cl3N3 — CID 134629287

IUPAC5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(N)c(-c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C12H6Cl3N3/c13-6-3-8(14)11(9(15)4-6)12-10(17)2-1-7(5-16)18-12/h1-4H,17H2
InChIKeyCJADHTWJKWBWEK-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.16
Rot. Bonds1

About 5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile

5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile (PubChem CID 134629287) has the molecular formula C12H6Cl3N3 and a molecular weight of 298.56 g/mol. Its IUPAC name is 5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile
PubChem CID134629287
Molecular FormulaC12H6Cl3N3
Molecular Weight298.56 g/mol
Exact Mass296.96
IUPAC Name5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(N)c(-c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C12H6Cl3N3/c13-6-3-8(14)11(9(15)4-6)12-10(17)2-1-7(5-16)18-12/h1-4H,17H2
InChIKeyCJADHTWJKWBWEK-UHFFFAOYSA-N
XLogP4.16
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-(2,6-dichlorophenyl)pyridine-2-carbonitrile
CID 133096039
5-amino-6-(2,5-dichlorophenyl)pyridine-2-carbonitrile
CID 133096037
6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile
CID 134636792
6-amino-5-chloropyridine-2-carbonitrile
CID 121227574
5-amino-6-methylpyridine-2-carbonitrile;hydrochloride
CID 70701084
5-amino-6-methylpyridine-2-carbonitrile;ethane
CID 156814154
5-amino-6-methylpyridine-2-carbonitrile;dihydrochloride
CID 131846942
5-chloro-6-methylpyridine-2-carbonitrile
CID 57336597
2-(4-amino-3-chlorophenoxy)pyrimidine-4-carbonitrile
CID 107552133
4-amino-6-chloroquinoline-2-carbonitrile
CID 84620141
5-amino-6-(2,3,5-trichlorophenyl)pyridine-3-carbonitrile
CID 134637971
2,4-dichloroaniline;molecular nitrogen
CID 69010854

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile?
The IUPAC name of 5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile (CID 134629287) is 5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile is N#Cc1ccc(N)c(-c2c(Cl)cc(Cl)cc2Cl)n1.
What is the InChIKey of 5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile?
The InChIKey is CJADHTWJKWBWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N3/c13-6-3-8(14)11(9(15)4-6)12-10(17)2-1-7(5-16)18-12/h1-4H,17H2.
What are the key properties of 5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile?
5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile has a molecular weight of 298.56 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 134629287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).