5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile

C18H8Cl4N2 — CID 133095960

IUPAC5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2c(Cl)cccc2Cl)c(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H8Cl4N2/c19-12-3-1-4-13(20)16(12)11-7-10(8-23)9-24-18(11)17-14(21)5-2-6-15(17)22/h1-7,9H
InChIKeyUARNOYUKZAFOMQ-UHFFFAOYSA-N
MW394.09 g/mol
LogP6.90
Rot. Bonds2

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

5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile (PubChem CID 133095960) has the molecular formula C18H8Cl4N2 and a molecular weight of 394.09 g/mol. Its IUPAC name is 5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile
PubChem CID133095960
Molecular FormulaC18H8Cl4N2
Molecular Weight394.09 g/mol
Exact Mass391.94
IUPAC Name5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(-c2c(Cl)cccc2Cl)c(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H8Cl4N2/c19-12-3-1-4-13(20)16(12)11-7-10(8-23)9-24-18(11)17-14(21)5-2-6-15(17)22/h1-7,9H
InChIKeyUARNOYUKZAFOMQ-UHFFFAOYSA-N
XLogP6.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.09
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile
CID 134637003
5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
CID 46313539
5-amino-6-(2,3,5-trichlorophenyl)pyridine-3-carbonitrile
CID 134637971
3-(2,6-dichlorophenyl)pyridine-2-carbonitrile
CID 133095089
5-chloro-6-ethynylpyridine-3-carbonitrile
CID 122241554
6-(2-chlorophenyl)pyridine-3-carbonitrile
CID 103579570
3,5-diazatricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaene-9-carbonitrile
CID 172543771
3-chloro-2-(2,3,5-trichlorophenyl)benzonitrile
CID 134630536
5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile
CID 103470794
5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 51135200
5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 134629098
5-amino-6-(2,6-dichlorophenyl)pyridine-2-carbonitrile
CID 133096039

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile (CID 133095960) is 5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile is N#Cc1cnc(-c2c(Cl)cccc2Cl)c(-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile?
The InChIKey is UARNOYUKZAFOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl4N2/c19-12-3-1-4-13(20)16(12)11-7-10(8-23)9-24-18(11)17-14(21)5-2-6-15(17)22/h1-7,9H.
What are the key properties of 5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile?
5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile has a molecular weight of 394.09 g/mol, XLogP of 6.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133095960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).