2-bromo-3,5-dichloro-6-fluorobenzonitrile

C7HBrCl2FN — CID 169336315

IUPAC2-bromo-3,5-dichloro-6-fluorobenzonitrile
SMILESN#Cc1c(F)c(Cl)cc(Cl)c1Br
InChIInChI=1S/C7HBrCl2FN/c8-6-3(2-12)7(11)5(10)1-4(6)9/h1H
InChIKeyUBRXHRHZRHTYNZ-UHFFFAOYSA-N
MW268.90 g/mol
LogP3.77
Rot. Bonds

About 2-bromo-3,5-dichloro-6-fluorobenzonitrile

2-bromo-3,5-dichloro-6-fluorobenzonitrile (PubChem CID 169336315) has the molecular formula C7HBrCl2FN and a molecular weight of 268.90 g/mol. Its IUPAC name is 2-bromo-3,5-dichloro-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-bromo-3,5-dichloro-6-fluorobenzonitrile
PubChem CID169336315
Molecular FormulaC7HBrCl2FN
Molecular Weight268.90 g/mol
Exact Mass266.87
IUPAC Name2-bromo-3,5-dichloro-6-fluorobenzonitrile
SMILESN#Cc1c(F)c(Cl)cc(Cl)c1Br
InChIInChI=1S/C7HBrCl2FN/c8-6-3(2-12)7(11)5(10)1-4(6)9/h1H
InChIKeyUBRXHRHZRHTYNZ-UHFFFAOYSA-N
XLogP3.77
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.90
LogP ≤ 53.77
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-fluoro-5,6-dihydroxybenzonitrile
CID 117280912
3,5-dichloro-2-fluoro-6-(furan-2-yl)benzonitrile
CID 168524830
2-bromo-4-chloro-3-fluorobenzonitrile
CID 89499906
3-bromo-2,4,6-trifluorobenzonitrile
CID 117344080
3-chloro-2-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 177336776
5-chloro-6-fluoro-1-benzothiophene-7-carbonitrile
CID 130884091
3,4-dibromo-5-chlorobenzonitrile
CID 169336449
7-chloro-6-fluoro-3,4-dihydro-2H-thiochromene-5-carbonitrile
CID 177336858
methyl N-cyano-N'-(4,6-dichloro-2-cyano-3-fluorophenyl)carbamimidothioate
CID 169360695
3,6-dibromo-2-fluorobenzonitrile
CID 50997948
2-bromo-4-chloro-6-(trifluoromethyl)benzonitrile
CID 154667046
2-(bromomethyl)-6-chloro-4-fluorobenzonitrile
CID 147490286

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,5-dichloro-6-fluorobenzonitrile?
The IUPAC name of 2-bromo-3,5-dichloro-6-fluorobenzonitrile (CID 169336315) is 2-bromo-3,5-dichloro-6-fluorobenzonitrile.
What is the SMILES notation for 2-bromo-3,5-dichloro-6-fluorobenzonitrile?
The canonical SMILES for 2-bromo-3,5-dichloro-6-fluorobenzonitrile is N#Cc1c(F)c(Cl)cc(Cl)c1Br.
What is the InChIKey of 2-bromo-3,5-dichloro-6-fluorobenzonitrile?
The InChIKey is UBRXHRHZRHTYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBrCl2FN/c8-6-3(2-12)7(11)5(10)1-4(6)9/h1H.
What are the key properties of 2-bromo-3,5-dichloro-6-fluorobenzonitrile?
2-bromo-3,5-dichloro-6-fluorobenzonitrile has a molecular weight of 268.90 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,5-dichloro-6-fluorobenzonitrile is sourced from PubChem (CID 169336315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).