2,4-dichloro-6-(dibromomethyl)benzonitrile

C8H3Br2Cl2N — CID 142429455

IUPAC2,4-dichloro-6-(dibromomethyl)benzonitrile
SMILESN#Cc1c(Cl)cc(Cl)cc1C(Br)Br
InChIInChI=1S/C8H3Br2Cl2N/c9-8(10)5-1-4(11)2-7(12)6(5)3-13/h1-2,8H
InChIKeyWFHUNEPFWFJDOL-UHFFFAOYSA-N
MW343.83 g/mol
LogP4.65
Rot. Bonds1

About 2,4-dichloro-6-(dibromomethyl)benzonitrile

2,4-dichloro-6-(dibromomethyl)benzonitrile (PubChem CID 142429455) has the molecular formula C8H3Br2Cl2N and a molecular weight of 343.83 g/mol. Its IUPAC name is 2,4-dichloro-6-(dibromomethyl)benzonitrile.

Molecular Properties

Compound Name2,4-dichloro-6-(dibromomethyl)benzonitrile
PubChem CID142429455
Molecular FormulaC8H3Br2Cl2N
Molecular Weight343.83 g/mol
Exact Mass340.80
IUPAC Name2,4-dichloro-6-(dibromomethyl)benzonitrile
SMILESN#Cc1c(Cl)cc(Cl)cc1C(Br)Br
InChIInChI=1S/C8H3Br2Cl2N/c9-8(10)5-1-4(11)2-7(12)6(5)3-13/h1-2,8H
InChIKeyWFHUNEPFWFJDOL-UHFFFAOYSA-N
XLogP4.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-iodobenzonitrile
CID 102368246
3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile
CID 134635786
1-(1-bromoethyl)-2,3,5-trichlorobenzene
CID 174746168
2,3,5-trichlorobenzonitrile
CID 19800061
2,4,5-trichloro-6-(2,4,6-trichloroanilino)benzene-1,3-dicarbonitrile
CID 71722446
2,6-dichloro-4-(2-methylprop-1-enyl)benzonitrile
CID 167443748
6-(1-bromoethyl)-2,4-dichloronaphthalene-1-carbonitrile
CID 155108773
4-chloro-2,6-dimethoxybenzonitrile
CID 71485579
2,6-dichloro-4-cyclopropylbenzonitrile
CID 167443793
2,6-dichloro-3,4-dihydroxybenzonitrile
CID 45092966
2-(bromomethyl)-6-chloro-4-fluorobenzonitrile
CID 147490286
2-bromo-4-chloro-6-(trifluoromethyl)benzonitrile
CID 154667046

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(dibromomethyl)benzonitrile?
The IUPAC name of 2,4-dichloro-6-(dibromomethyl)benzonitrile (CID 142429455) is 2,4-dichloro-6-(dibromomethyl)benzonitrile.
What is the SMILES notation for 2,4-dichloro-6-(dibromomethyl)benzonitrile?
The canonical SMILES for 2,4-dichloro-6-(dibromomethyl)benzonitrile is N#Cc1c(Cl)cc(Cl)cc1C(Br)Br.
What is the InChIKey of 2,4-dichloro-6-(dibromomethyl)benzonitrile?
The InChIKey is WFHUNEPFWFJDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2Cl2N/c9-8(10)5-1-4(11)2-7(12)6(5)3-13/h1-2,8H.
What are the key properties of 2,4-dichloro-6-(dibromomethyl)benzonitrile?
2,4-dichloro-6-(dibromomethyl)benzonitrile has a molecular weight of 343.83 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(dibromomethyl)benzonitrile is sourced from PubChem (CID 142429455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).