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

C18H8Cl4N2 — CID 133094772

IUPAC2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(Cl)cc(Cl)c2)nc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H8Cl4N2/c19-13-3-11(4-14(20)7-13)17-2-1-10(9-23)18(24-17)12-5-15(21)8-16(22)6-12/h1-8H
InChIKeyLMJVIYCJNMOHHI-UHFFFAOYSA-N
MW394.09 g/mol
LogP6.90
Rot. Bonds2

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

2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile (PubChem CID 133094772) has the molecular formula C18H8Cl4N2 and a molecular weight of 394.09 g/mol. Its IUPAC name is 2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile
PubChem CID133094772
Molecular FormulaC18H8Cl4N2
Molecular Weight394.09 g/mol
Exact Mass391.94
IUPAC Name2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(Cl)cc(Cl)c2)nc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H8Cl4N2/c19-13-3-11(4-14(20)7-13)17-2-1-10(9-23)18(24-17)12-5-15(21)8-16(22)6-12/h1-8H
InChIKeyLMJVIYCJNMOHHI-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

2,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
CID 46313536
2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 119014344
5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile
CID 133095975
6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile
CID 2765236
6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile
CID 46265751
5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
CID 24901883
6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 55045417
6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile
CID 62197446
2-(3,5-dichlorophenyl)-3-fluorobenzonitrile
CID 134623799
[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol
CID 119008277
2-(3,5-dichlorophenyl)-6-fluoropyridine
CID 118808261
2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094384

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile (CID 133094772) is 2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile is N#Cc1ccc(-c2cc(Cl)cc(Cl)c2)nc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile?
The InChIKey is LMJVIYCJNMOHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl4N2/c19-13-3-11(4-14(20)7-13)17-2-1-10(9-23)18(24-17)12-5-15(21)8-16(22)6-12/h1-8H.
What are the key properties of 2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile?
2,6-bis(3,5-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 2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133094772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).