2,3-dichloro-6-fluorobenzonitrile

C7H2Cl2FN — CID 3767163

IUPAC2,3-dichloro-6-fluorobenzonitrile
SMILESN#Cc1c(F)ccc(Cl)c1Cl
InChIInChI=1S/C7H2Cl2FN/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2H
InChIKeyPISOOQLALMAJRE-UHFFFAOYSA-N
MW190.00 g/mol
LogP3.00
Rot. Bonds

About 2,3-dichloro-6-fluorobenzonitrile

2,3-dichloro-6-fluorobenzonitrile (PubChem CID 3767163) has the molecular formula C7H2Cl2FN and a molecular weight of 190.00 g/mol. Its IUPAC name is 2,3-dichloro-6-fluorobenzonitrile.

Molecular Properties

Compound Name2,3-dichloro-6-fluorobenzonitrile
PubChem CID3767163
Molecular FormulaC7H2Cl2FN
Molecular Weight190.00 g/mol
Exact Mass188.95
IUPAC Name2,3-dichloro-6-fluorobenzonitrile
SMILESN#Cc1c(F)ccc(Cl)c1Cl
InChIInChI=1S/C7H2Cl2FN/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2H
InChIKeyPISOOQLALMAJRE-UHFFFAOYSA-N
XLogP3.00
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.00
LogP ≤ 53.00
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

2-chloro-6-fluoro-3-hydroxybenzonitrile
CID 83410418
methyl 2-(2-chloro-3-cyano-4-fluorophenyl)acetate
CID 171029896
3,6-difluoro-2-hydroxybenzonitrile
CID 45083150
2,3-dichloro-6-isocyanatobenzonitrile
CID 169355906
2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile
CID 79513408
2-(3-chloro-2,6-difluorophenyl)acetonitrile
CID 2773576
1-chloro-6-fluoroisoquinoline-5-carbonitrile
CID 154729639
2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile
CID 65316370
2,3-dichloro-6-(furan-2-yl)benzonitrile
CID 168528808
2-(aminomethyl)-3,6-difluorobenzonitrile
CID 118991249
formyl fluoride;2,3,6-trifluorobenzonitrile
CID 174393196
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-fluorobenzonitrile?
The IUPAC name of 2,3-dichloro-6-fluorobenzonitrile (CID 3767163) is 2,3-dichloro-6-fluorobenzonitrile.
What is the SMILES notation for 2,3-dichloro-6-fluorobenzonitrile?
The canonical SMILES for 2,3-dichloro-6-fluorobenzonitrile is N#Cc1c(F)ccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-6-fluorobenzonitrile?
The InChIKey is PISOOQLALMAJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2FN/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2H.
What are the key properties of 2,3-dichloro-6-fluorobenzonitrile?
2,3-dichloro-6-fluorobenzonitrile has a molecular weight of 190.00 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-fluorobenzonitrile is sourced from PubChem (CID 3767163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).