3-bromo-6-methoxy-2,4-dimethylbenzonitrile

C10H10BrNO — CID 50883121

IUPAC3-bromo-6-methoxy-2,4-dimethylbenzonitrile
SMILESCOc1cc(C)c(Br)c(C)c1C#N
InChIInChI=1S/C10H10BrNO/c1-6-4-9(13-3)8(5-12)7(2)10(6)11/h4H,1-3H3
InChIKeyDUFZCSHEUIEPDT-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.95
Rot. Bonds1

About 3-bromo-6-methoxy-2,4-dimethylbenzonitrile

3-bromo-6-methoxy-2,4-dimethylbenzonitrile (PubChem CID 50883121) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 3-bromo-6-methoxy-2,4-dimethylbenzonitrile.

Molecular Properties

Compound Name3-bromo-6-methoxy-2,4-dimethylbenzonitrile
PubChem CID50883121
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name3-bromo-6-methoxy-2,4-dimethylbenzonitrile
SMILESCOc1cc(C)c(Br)c(C)c1C#N
InChIInChI=1S/C10H10BrNO/c1-6-4-9(13-3)8(5-12)7(2)10(6)11/h4H,1-3H3
InChIKeyDUFZCSHEUIEPDT-UHFFFAOYSA-N
XLogP2.95
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-methoxy-4-methylbenzonitrile
CID 131293442
2-methoxy-4,6-dimethylbenzonitrile
CID 50883188
2,4-dimethoxy-6-methylbenzonitrile
CID 11435258
5-bromo-2,3-dimethoxy-6-methylbenzonitrile
CID 117393170
2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171
3-methoxy-2,6-dimethylbenzonitrile
CID 118999351
2-bromo-5-methoxy-3,6-dimethylaniline
CID 84736110
(3-bromo-6-methoxy-2,4-dimethylphenyl)methanol
CID 84802792
4-chloro-2,6-dimethoxybenzonitrile
CID 71485579
3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride
CID 50883161
2-bromo-5-methoxy-4-methylbenzonitrile
CID 117324664
4-amino-2-methoxy-5-methylbenzonitrile
CID 23068192

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methoxy-2,4-dimethylbenzonitrile?
The IUPAC name of 3-bromo-6-methoxy-2,4-dimethylbenzonitrile (CID 50883121) is 3-bromo-6-methoxy-2,4-dimethylbenzonitrile.
What is the SMILES notation for 3-bromo-6-methoxy-2,4-dimethylbenzonitrile?
The canonical SMILES for 3-bromo-6-methoxy-2,4-dimethylbenzonitrile is COc1cc(C)c(Br)c(C)c1C#N.
What is the InChIKey of 3-bromo-6-methoxy-2,4-dimethylbenzonitrile?
The InChIKey is DUFZCSHEUIEPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6-4-9(13-3)8(5-12)7(2)10(6)11/h4H,1-3H3.
What are the key properties of 3-bromo-6-methoxy-2,4-dimethylbenzonitrile?
3-bromo-6-methoxy-2,4-dimethylbenzonitrile has a molecular weight of 240.10 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methoxy-2,4-dimethylbenzonitrile is sourced from PubChem (CID 50883121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).