3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile

C18H6Cl6N2 — CID 134635786

IUPAC3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1c(-c2c(Cl)cc(Cl)cc2Cl)cncc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H6Cl6N2/c19-8-1-13(21)17(14(22)2-8)11-6-26-7-12(10(11)5-25)18-15(23)3-9(20)4-16(18)24/h1-4,6-7H
InChIKeyIQNOCMAPSGAMIT-UHFFFAOYSA-N
MW462.98 g/mol
LogP8.21
Rot. Bonds2

About 3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile

3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile (PubChem CID 134635786) has the molecular formula C18H6Cl6N2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile
PubChem CID134635786
Molecular FormulaC18H6Cl6N2
Molecular Weight462.98 g/mol
Exact Mass459.87
IUPAC Name3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1c(-c2c(Cl)cc(Cl)cc2Cl)cncc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H6Cl6N2/c19-8-1-13(21)17(14(22)2-8)11-6-26-7-12(10(11)5-25)18-15(23)3-9(20)4-16(18)24/h1-4,6-7H
InChIKeyIQNOCMAPSGAMIT-UHFFFAOYSA-N
XLogP8.21
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.98
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile
CID 134636778
4-chloro-3-(2,4,6-trichlorophenyl)pyridine
CID 134636075
2,4-dichloro-6-iodobenzonitrile
CID 102368246
5-chloropyridine-3-carbonitrile
CID 12645070
3-(2,4-dichlorophenyl)pyridine-4-carbonitrile
CID 133095084
3-chloro-5-(2,4-dichlorophenyl)-1,2-thiazole-4-carbonitrile
CID 706068
2,4-dichloro-6-(dibromomethyl)benzonitrile
CID 142429455
3-fluoro-4-(2,4,6-trichlorophenyl)pyridine
CID 133090356
3,5-dipyridin-3-ylpyridine-4-carbonitrile
CID 46316354
3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine
CID 134623724
2,3,5-trichlorobenzonitrile
CID 19800061
2,4,5-trichloro-6-(2,4,6-trichloroanilino)benzene-1,3-dicarbonitrile
CID 71722446

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile?
The IUPAC name of 3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile (CID 134635786) is 3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile?
The canonical SMILES for 3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile is N#Cc1c(-c2c(Cl)cc(Cl)cc2Cl)cncc1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile?
The InChIKey is IQNOCMAPSGAMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6Cl6N2/c19-8-1-13(21)17(14(22)2-8)11-6-26-7-12(10(11)5-25)18-15(23)3-9(20)4-16(18)24/h1-4,6-7H.
What are the key properties of 3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile?
3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile has a molecular weight of 462.98 g/mol, XLogP of 8.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 134635786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).