2-(2,6-dichlorophenoxy)acetonitrile

C8H5Cl2NO — CID 2799245

IUPAC2-(2,6-dichlorophenoxy)acetonitrile
SMILESN#CCOc1c(Cl)cccc1Cl
InChIInChI=1S/C8H5Cl2NO/c9-6-2-1-3-7(10)8(6)12-5-4-11/h1-3H,5H2
InChIKeyLVLKWYRHTDZICQ-UHFFFAOYSA-N
MW202.04 g/mol
LogP2.90
Rot. Bonds2

About 2-(2,6-dichlorophenoxy)acetonitrile

2-(2,6-dichlorophenoxy)acetonitrile (PubChem CID 2799245) has the molecular formula C8H5Cl2NO and a molecular weight of 202.04 g/mol. Its IUPAC name is 2-(2,6-dichlorophenoxy)acetonitrile.

Molecular Properties

Compound Name2-(2,6-dichlorophenoxy)acetonitrile
PubChem CID2799245
Molecular FormulaC8H5Cl2NO
Molecular Weight202.04 g/mol
Exact Mass200.97
IUPAC Name2-(2,6-dichlorophenoxy)acetonitrile
SMILESN#CCOc1c(Cl)cccc1Cl
InChIInChI=1S/C8H5Cl2NO/c9-6-2-1-3-7(10)8(6)12-5-4-11/h1-3H,5H2
InChIKeyLVLKWYRHTDZICQ-UHFFFAOYSA-N
XLogP2.90
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-aminobutyl)-6-chlorophenoxy]acetonitrile
CID 112615753
2-but-2-ynoxy-1,3-dichlorobenzene
CID 130635174
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610606
2-[(2,6-dichlorophenoxy)methyl]benzonitrile
CID 22688283
2-amino-4-(2,6-dichlorophenoxy)butanenitrile
CID 82023057
N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide
CID 46568862
2-naphthalen-1-yloxyacetonitrile
CID 4123375
5-(2-chloro-6-fluorophenoxy)pentanenitrile
CID 83050668
2-(9-benzyl-3-chlorocarbazol-4-yl)oxyacetonitrile
CID 18671666
2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile
CID 131209243
2-[2-bromo-6-(bromomethyl)phenoxy]acetonitrile
CID 61392074
2-(2,5-dichlorophenoxy)acetonitrile
CID 3361196

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenoxy)acetonitrile?
The IUPAC name of 2-(2,6-dichlorophenoxy)acetonitrile (CID 2799245) is 2-(2,6-dichlorophenoxy)acetonitrile.
What is the SMILES notation for 2-(2,6-dichlorophenoxy)acetonitrile?
The canonical SMILES for 2-(2,6-dichlorophenoxy)acetonitrile is N#CCOc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenoxy)acetonitrile?
The InChIKey is LVLKWYRHTDZICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO/c9-6-2-1-3-7(10)8(6)12-5-4-11/h1-3H,5H2.
What are the key properties of 2-(2,6-dichlorophenoxy)acetonitrile?
2-(2,6-dichlorophenoxy)acetonitrile has a molecular weight of 202.04 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenoxy)acetonitrile is sourced from PubChem (CID 2799245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).