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

C18H8Cl4N2 — CID 133095162

IUPAC3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2cccc(Cl)c2Cl)cc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H8Cl4N2/c19-14-5-1-3-11(17(14)21)10-7-13(16(8-23)24-9-10)12-4-2-6-15(20)18(12)22/h1-7,9H
InChIKeyRBYWKDAWNNNCBS-UHFFFAOYSA-N
MW394.09 g/mol
LogP6.90
Rot. Bonds2

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

3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile (PubChem CID 133095162) has the molecular formula C18H8Cl4N2 and a molecular weight of 394.09 g/mol. Its IUPAC name is 3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile
PubChem CID133095162
Molecular FormulaC18H8Cl4N2
Molecular Weight394.09 g/mol
Exact Mass391.94
IUPAC Name3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2cccc(Cl)c2Cl)cc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H8Cl4N2/c19-14-5-1-3-11(17(14)21)10-7-13(16(8-23)24-9-10)12-4-2-6-15(20)18(12)22/h1-7,9H
InChIKeyRBYWKDAWNNNCBS-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-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile
CID 175882707
3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile
CID 133095168
3-(2,3-dichlorophenyl)quinoline
CID 175328556
3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 134623343
5-(2,3-dichlorophenyl)pyrimidin-2-amine
CID 79022346
5-(2,3-dichlorophenyl)-2-methylpyridine
CID 173126972
3-(2,6-dichlorophenyl)pyridine-2-carbonitrile
CID 133095089
5-(2,3-dichlorophenyl)-3-fluoro-2-methoxypyridine
CID 133091081
5-(2,3-dichlorophenyl)-2-methoxypyridin-3-amine
CID 133087146
5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde
CID 133091105
3-(2,3-dichlorophenyl)-5-fluoropyridine
CID 133090720
5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde
CID 130088699

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile?
The IUPAC name of 3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile (CID 133095162) is 3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile?
The canonical SMILES for 3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile is N#Cc1ncc(-c2cccc(Cl)c2Cl)cc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile?
The InChIKey is RBYWKDAWNNNCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl4N2/c19-14-5-1-3-11(17(14)21)10-7-13(16(8-23)24-9-10)12-4-2-6-15(20)18(12)22/h1-7,9H.
What are the key properties of 3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile?
3,5-bis(2,3-dichlorophenyl)pyridine-2-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 3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 133095162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).