2,4-dibromo-6-fluoro-3-methylbenzonitrile

C8H4Br2FN — CID 177254799

IUPAC2,4-dibromo-6-fluoro-3-methylbenzonitrile
SMILESCc1c(Br)cc(F)c(C#N)c1Br
InChIInChI=1S/C8H4Br2FN/c1-4-6(9)2-7(11)5(3-12)8(4)10/h2H,1H3
InChIKeyGUDGNMYUNTVBLE-UHFFFAOYSA-N
MW292.93 g/mol
LogP3.53
Rot. Bonds

About 2,4-dibromo-6-fluoro-3-methylbenzonitrile

2,4-dibromo-6-fluoro-3-methylbenzonitrile (PubChem CID 177254799) has the molecular formula C8H4Br2FN and a molecular weight of 292.93 g/mol. Its IUPAC name is 2,4-dibromo-6-fluoro-3-methylbenzonitrile.

Molecular Properties

Compound Name2,4-dibromo-6-fluoro-3-methylbenzonitrile
PubChem CID177254799
Molecular FormulaC8H4Br2FN
Molecular Weight292.93 g/mol
Exact Mass290.87
IUPAC Name2,4-dibromo-6-fluoro-3-methylbenzonitrile
SMILESCc1c(Br)cc(F)c(C#N)c1Br
InChIInChI=1S/C8H4Br2FN/c1-4-6(9)2-7(11)5(3-12)8(4)10/h2H,1H3
InChIKeyGUDGNMYUNTVBLE-UHFFFAOYSA-N
XLogP3.53
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.93
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-fluoro-3-methylbenzonitrile?
The IUPAC name of 2,4-dibromo-6-fluoro-3-methylbenzonitrile (CID 177254799) is 2,4-dibromo-6-fluoro-3-methylbenzonitrile.
What is the SMILES notation for 2,4-dibromo-6-fluoro-3-methylbenzonitrile?
The canonical SMILES for 2,4-dibromo-6-fluoro-3-methylbenzonitrile is Cc1c(Br)cc(F)c(C#N)c1Br.
What is the InChIKey of 2,4-dibromo-6-fluoro-3-methylbenzonitrile?
The InChIKey is GUDGNMYUNTVBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2FN/c1-4-6(9)2-7(11)5(3-12)8(4)10/h2H,1H3.
What are the key properties of 2,4-dibromo-6-fluoro-3-methylbenzonitrile?
2,4-dibromo-6-fluoro-3-methylbenzonitrile has a molecular weight of 292.93 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-fluoro-3-methylbenzonitrile is sourced from PubChem (CID 177254799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).