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

C12H6Cl2N2 — CID 133095089

IUPAC3-(2,6-dichlorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C12H6Cl2N2/c13-9-4-1-5-10(14)12(9)8-3-2-6-16-11(8)7-15/h1-6H
InChIKeyQASVAXIVJPZWLA-UHFFFAOYSA-N
MW249.10 g/mol
LogP3.93
Rot. Bonds1

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

3-(2,6-dichlorophenyl)pyridine-2-carbonitrile (PubChem CID 133095089) has the molecular formula C12H6Cl2N2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)pyridine-2-carbonitrile
PubChem CID133095089
Molecular FormulaC12H6Cl2N2
Molecular Weight249.10 g/mol
Exact Mass247.99
IUPAC Name3-(2,6-dichlorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C12H6Cl2N2/c13-9-4-1-5-10(14)12(9)8-3-2-6-16-11(8)7-15/h1-6H
InChIKeyQASVAXIVJPZWLA-UHFFFAOYSA-N
XLogP3.93
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)pyridine-2-carbonitrile
CID 133095092
3-(4-fluorophenyl)pyridine-2-carbonitrile
CID 46312083
5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile
CID 175882707
3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile
CID 170449856
3-[7-(2-cyano-3-pyridinyl)pyren-2-yl]pyridine-2-carbonitrile
CID 118397742
3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile
CID 133095162
3-(2,6-dichloroanilino)pyrazine-2-carbonitrile
CID 65467092
5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile
CID 133095960
5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile
CID 132588447
3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile
CID 134621656
3-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]pyridine-2-carbonitrile
CID 62893908
4-chloro-3-hydroxypyridine-2-carbonitrile
CID 130837538

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(2,6-dichlorophenyl)pyridine-2-carbonitrile (CID 133095089) is 3-(2,6-dichlorophenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(2,6-dichlorophenyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(2,6-dichlorophenyl)pyridine-2-carbonitrile is N#Cc1ncccc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)pyridine-2-carbonitrile?
The InChIKey is QASVAXIVJPZWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2/c13-9-4-1-5-10(14)12(9)8-3-2-6-16-11(8)7-15/h1-6H.
What are the key properties of 3-(2,6-dichlorophenyl)pyridine-2-carbonitrile?
3-(2,6-dichlorophenyl)pyridine-2-carbonitrile has a molecular weight of 249.10 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 133095089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).