2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile

C10H10BrNO — CID 84800303

IUPAC2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile
SMILESCOc1ccc(Br)c(C)c1CC#N
InChIInChI=1S/C10H10BrNO/c1-7-8(5-6-12)10(13-2)4-3-9(7)11/h3-4H,5H2,1-2H3
InChIKeyQEJCGYLUHMKLBA-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.83
Rot. Bonds2

About 2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile

2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile (PubChem CID 84800303) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile
PubChem CID84800303
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile
SMILESCOc1ccc(Br)c(C)c1CC#N
InChIInChI=1S/C10H10BrNO/c1-7-8(5-6-12)10(13-2)4-3-9(7)11/h3-4H,5H2,1-2H3
InChIKeyQEJCGYLUHMKLBA-UHFFFAOYSA-N
XLogP2.83
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(isocyanatomethyl)-4-methoxy-2-methylbenzene
CID 117393204
sodium;2-(6-bromo-2-fluoro-3-methoxyphenyl)acetonitrile;cyanide
CID 175978714
O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117366988
2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile
CID 84800310
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)acetonitrile
CID 84804582
2-(6-bromo-2,3,4-trimethoxyphenyl)acetonitrile
CID 84813475
2-[3,6-dibromo-2-(cyanomethyl)phenyl]acetonitrile
CID 153406802
2-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)acetonitrile
CID 84805658
2-(2-chloro-3-fluoro-6-methoxyphenyl)acetonitrile
CID 130889587
N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide
CID 168523926
2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82495069
1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene
CID 11740051

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile?
The IUPAC name of 2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile (CID 84800303) is 2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile?
The canonical SMILES for 2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile is COc1ccc(Br)c(C)c1CC#N.
What is the InChIKey of 2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile?
The InChIKey is QEJCGYLUHMKLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-7-8(5-6-12)10(13-2)4-3-9(7)11/h3-4H,5H2,1-2H3.
What are the key properties of 2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile?
2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile has a molecular weight of 240.10 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile is sourced from PubChem (CID 84800303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).