2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile

C15H8Cl2N2 — CID 14710954

IUPAC2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile
SMILESN#Cc1ccccc1C(C#N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H8Cl2N2/c16-14-6-5-10(7-15(14)17)13(9-19)12-4-2-1-3-11(12)8-18/h1-7,13H
InChIKeyGIONNYIOYPYEPI-UHFFFAOYSA-N
MW287.15 g/mol
LogP4.52
Rot. Bonds2

About 2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile

2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile (PubChem CID 14710954) has the molecular formula C15H8Cl2N2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile
PubChem CID14710954
Molecular FormulaC15H8Cl2N2
Molecular Weight287.15 g/mol
Exact Mass286.01
IUPAC Name2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile
SMILESN#Cc1ccccc1C(C#N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H8Cl2N2/c16-14-6-5-10(7-15(14)17)13(9-19)12-4-2-1-3-11(12)8-18/h1-7,13H
InChIKeyGIONNYIOYPYEPI-UHFFFAOYSA-N
XLogP4.52
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile
CID 12887947
(2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
CID 30082276
(2S)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
CID 30082279
2-(3,4-dichlorophenyl)-4-phenylbutanenitrile
CID 82137373
2-chlorobenzonitrile
CID 139060041
2-(difluoromethyl)benzonitrile
CID 57421356
(2S)-2-(4-chloro-3-pyridinyl)-2-phenylacetonitrile
CID 124638927
(2R)-2-(3,4-dichlorophenyl)-3-oxopropanenitrile
CID 94256868
(2S)-2-(3,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 28899008
2-(3,4-dichlorophenyl)-3,3,3-trifluoropropanenitrile
CID 79559917
2-chlorobenzonitrile;hydron
CID 131860473
(4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile
CID 11833125

Frequently Asked Questions

What is the IUPAC name of 2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile?
The IUPAC name of 2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile (CID 14710954) is 2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile.
What is the SMILES notation for 2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile?
The canonical SMILES for 2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile is N#Cc1ccccc1C(C#N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile?
The InChIKey is GIONNYIOYPYEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2/c16-14-6-5-10(7-15(14)17)13(9-19)12-4-2-1-3-11(12)8-18/h1-7,13H.
What are the key properties of 2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile?
2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile has a molecular weight of 287.15 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyano-(3,4-dichlorophenyl)methyl]benzonitrile is sourced from PubChem (CID 14710954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).