2-chloro-6-(2-chloroethoxy)benzonitrile

C9H7Cl2NO — CID 130564225

IUPAC2-chloro-6-(2-chloroethoxy)benzonitrile
SMILESN#Cc1c(Cl)cccc1OCCCl
InChIInChI=1S/C9H7Cl2NO/c10-4-5-13-9-3-1-2-8(11)7(9)6-12/h1-3H,4-5H2
InChIKeyKZCOROXKZBVASO-UHFFFAOYSA-N
MW216.07 g/mol
LogP2.83
Rot. Bonds3

About 2-chloro-6-(2-chloroethoxy)benzonitrile

2-chloro-6-(2-chloroethoxy)benzonitrile (PubChem CID 130564225) has the molecular formula C9H7Cl2NO and a molecular weight of 216.07 g/mol. Its IUPAC name is 2-chloro-6-(2-chloroethoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-chloroethoxy)benzonitrile
PubChem CID130564225
Molecular FormulaC9H7Cl2NO
Molecular Weight216.07 g/mol
Exact Mass214.99
IUPAC Name2-chloro-6-(2-chloroethoxy)benzonitrile
SMILESN#Cc1c(Cl)cccc1OCCCl
InChIInChI=1S/C9H7Cl2NO/c10-4-5-13-9-3-1-2-8(11)7(9)6-12/h1-3H,4-5H2
InChIKeyKZCOROXKZBVASO-UHFFFAOYSA-N
XLogP2.83
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-hexoxybenzonitrile
CID 63513082
2-chloro-6-(2-cyclobutylethoxy)benzonitrile
CID 106201553
2-chloro-6-(3-ethoxypropoxy)benzonitrile
CID 79032993
2-chloro-6-(2-cyclohexylethoxy)benzonitrile
CID 114191198
2-chloro-6-[2-(2,2,2-trifluoroethoxy)ethoxy]benzonitrile
CID 79035063
2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile
CID 113277263
2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile
CID 114322554
4-(3-chloro-2-cyanophenoxy)-N-methylbutanamide
CID 113277276
2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile
CID 114322559
2-chloro-6-(2-chlorophenoxy)benzonitrile
CID 60701753
2-chloro-6-[2-(2-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323691
2-chloro-6-pentan-3-yloxybenzonitrile
CID 114322513

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-chloroethoxy)benzonitrile?
The IUPAC name of 2-chloro-6-(2-chloroethoxy)benzonitrile (CID 130564225) is 2-chloro-6-(2-chloroethoxy)benzonitrile.
What is the SMILES notation for 2-chloro-6-(2-chloroethoxy)benzonitrile?
The canonical SMILES for 2-chloro-6-(2-chloroethoxy)benzonitrile is N#Cc1c(Cl)cccc1OCCCl.
What is the InChIKey of 2-chloro-6-(2-chloroethoxy)benzonitrile?
The InChIKey is KZCOROXKZBVASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO/c10-4-5-13-9-3-1-2-8(11)7(9)6-12/h1-3H,4-5H2.
What are the key properties of 2-chloro-6-(2-chloroethoxy)benzonitrile?
2-chloro-6-(2-chloroethoxy)benzonitrile has a molecular weight of 216.07 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-chloroethoxy)benzonitrile is sourced from PubChem (CID 130564225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).