1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile

C11H9BrClNO — CID 84813856

IUPAC1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile
SMILESCOc1c(C2(C#N)CC2)ccc(Br)c1Cl
InChIInChI=1S/C11H9BrClNO/c1-15-10-7(11(6-14)4-5-11)2-3-8(12)9(10)13/h2-3H,4-5H2,1H3
InChIKeyRABMTMZWZGUUMH-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.67
Rot. Bonds2

About 1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile

1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile (PubChem CID 84813856) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile
PubChem CID84813856
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile
SMILESCOc1c(C2(C#N)CC2)ccc(Br)c1Cl
InChIInChI=1S/C11H9BrClNO/c1-15-10-7(11(6-14)4-5-11)2-3-8(12)9(10)13/h2-3H,4-5H2,1H3
InChIKeyRABMTMZWZGUUMH-UHFFFAOYSA-N
XLogP3.67
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile (CID 84813856) is 1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile is COc1c(C2(C#N)CC2)ccc(Br)c1Cl.
What is the InChIKey of 1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile?
The InChIKey is RABMTMZWZGUUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c1-15-10-7(11(6-14)4-5-11)2-3-8(12)9(10)13/h2-3H,4-5H2,1H3.
What are the key properties of 1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile?
1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile has a molecular weight of 286.56 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 84813856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).