2-(2-bromo-5-methylphenyl)acetonitrile

C9H8BrN — CID 59396519

IUPAC2-(2-bromo-5-methylphenyl)acetonitrile
SMILESCc1ccc(Br)c(CC#N)c1
InChIInChI=1S/C9H8BrN/c1-7-2-3-9(10)8(6-7)4-5-11/h2-3,6H,4H2,1H3
InChIKeyWEFMDZHZHVGPSC-UHFFFAOYSA-N
MW210.07 g/mol
LogP2.82
Rot. Bonds1

About 2-(2-bromo-5-methylphenyl)acetonitrile

2-(2-bromo-5-methylphenyl)acetonitrile (PubChem CID 59396519) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 2-(2-bromo-5-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-bromo-5-methylphenyl)acetonitrile
PubChem CID59396519
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name2-(2-bromo-5-methylphenyl)acetonitrile
SMILESCc1ccc(Br)c(CC#N)c1
InChIInChI=1S/C9H8BrN/c1-7-2-3-9(10)8(6-7)4-5-11/h2-3,6H,4H2,1H3
InChIKeyWEFMDZHZHVGPSC-UHFFFAOYSA-N
XLogP2.82
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-ethyl-4-methylbenzene;ethane
CID 153401137
2-(5-bromo-2-methylphenyl)acetonitrile
CID 12056531
2-(4-amino-2-bromo-5-methylphenyl)acetonitrile
CID 131271639
2-(2-bromo-5-cyclopropylphenyl)acetonitrile
CID 68804489
2-[2,3-bis(cyanomethyl)-5-methylphenyl]acetonitrile
CID 170886230
2-(5-bromo-2-methyl-4-pyridinyl)acetonitrile
CID 130848882
3-(2-bromo-4-methylphenyl)propanenitrile
CID 82054480
2-(2-bromo-5-chloro-4-methylphenyl)acetonitrile
CID 131590778
2-(2-bromo-5-fluoro-4-methylphenyl)acetonitrile
CID 131628332
2-bromo-5-methylbenzonitrile
CID 12557201
O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine
CID 117307584
ethyl 3-[4-bromo-3-(cyanomethyl)phenyl]propanoate
CID 134632657

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methylphenyl)acetonitrile?
The IUPAC name of 2-(2-bromo-5-methylphenyl)acetonitrile (CID 59396519) is 2-(2-bromo-5-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(2-bromo-5-methylphenyl)acetonitrile?
The canonical SMILES for 2-(2-bromo-5-methylphenyl)acetonitrile is Cc1ccc(Br)c(CC#N)c1.
What is the InChIKey of 2-(2-bromo-5-methylphenyl)acetonitrile?
The InChIKey is WEFMDZHZHVGPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c1-7-2-3-9(10)8(6-7)4-5-11/h2-3,6H,4H2,1H3.
What are the key properties of 2-(2-bromo-5-methylphenyl)acetonitrile?
2-(2-bromo-5-methylphenyl)acetonitrile has a molecular weight of 210.07 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methylphenyl)acetonitrile is sourced from PubChem (CID 59396519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).