2,3,5-trichlorobenzonitrile

C7H2Cl3N — CID 19800061

IUPAC2,3,5-trichlorobenzonitrile
SMILESN#Cc1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C7H2Cl3N/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H
InChIKeyMMDWDMLGGFMMCQ-UHFFFAOYSA-N
MW206.46 g/mol
LogP3.52
Rot. Bonds

About 2,3,5-trichlorobenzonitrile

2,3,5-trichlorobenzonitrile (PubChem CID 19800061) has the molecular formula C7H2Cl3N and a molecular weight of 206.46 g/mol. Its IUPAC name is 2,3,5-trichlorobenzonitrile.

Molecular Properties

Compound Name2,3,5-trichlorobenzonitrile
PubChem CID19800061
Molecular FormulaC7H2Cl3N
Molecular Weight206.46 g/mol
Exact Mass204.93
IUPAC Name2,3,5-trichlorobenzonitrile
SMILESN#Cc1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C7H2Cl3N/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H
InChIKeyMMDWDMLGGFMMCQ-UHFFFAOYSA-N
XLogP3.52
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(2,3,5-trichlorophenyl)benzonitrile
CID 134630536
5-acetyl-2,3-dichlorobenzonitrile
CID 171007860
2,4-dichloro-6-cyanobenzenesulfonamide
CID 171007997
2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile
CID 119005725
2-bromo-5-chloro-3-fluorobenzonitrile
CID 131622399
CID 164906500
CID 164906500
2-[(R)-amino(cyclobutyl)methyl]-3,5-dichlorobenzonitrile
CID 131461933
4-(2,3,5-trichlorophenyl)but-3-ynamide
CID 170472839
4-(2-amino-3,5-dichlorophenyl)but-3-ynenitrile
CID 170474857
ethyl 2,4-dichloro-6-cyanobenzoate
CID 134650108
2,3,6-trichloropyridine-4-carbonitrile
CID 154089690
2,4-dichloro-6-iodobenzonitrile
CID 102368246

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichlorobenzonitrile?
The IUPAC name of 2,3,5-trichlorobenzonitrile (CID 19800061) is 2,3,5-trichlorobenzonitrile.
What is the SMILES notation for 2,3,5-trichlorobenzonitrile?
The canonical SMILES for 2,3,5-trichlorobenzonitrile is N#Cc1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichlorobenzonitrile?
The InChIKey is MMDWDMLGGFMMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl3N/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H.
What are the key properties of 2,3,5-trichlorobenzonitrile?
2,3,5-trichlorobenzonitrile has a molecular weight of 206.46 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichlorobenzonitrile is sourced from PubChem (CID 19800061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).