3,5-dibromo-2-propan-2-yloxybenzonitrile

C10H9Br2NO — CID 19619470

IUPAC3,5-dibromo-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1c(Br)cc(Br)cc1C#N
InChIInChI=1S/C10H9Br2NO/c1-6(2)14-10-7(5-13)3-8(11)4-9(10)12/h3-4,6H,1-2H3
InChIKeyLAKZXUZDHAWRNP-UHFFFAOYSA-N
MW319.00 g/mol
LogP3.87
Rot. Bonds2

About 3,5-dibromo-2-propan-2-yloxybenzonitrile

3,5-dibromo-2-propan-2-yloxybenzonitrile (PubChem CID 19619470) has the molecular formula C10H9Br2NO and a molecular weight of 319.00 g/mol. Its IUPAC name is 3,5-dibromo-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name3,5-dibromo-2-propan-2-yloxybenzonitrile
PubChem CID19619470
Molecular FormulaC10H9Br2NO
Molecular Weight319.00 g/mol
Exact Mass316.91
IUPAC Name3,5-dibromo-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1c(Br)cc(Br)cc1C#N
InChIInChI=1S/C10H9Br2NO/c1-6(2)14-10-7(5-13)3-8(11)4-9(10)12/h3-4,6H,1-2H3
InChIKeyLAKZXUZDHAWRNP-UHFFFAOYSA-N
XLogP3.87
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.00
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-iodo-2-propan-2-yloxybenzonitrile
CID 19619488
2-bromo-4-propan-2-yloxybenzonitrile
CID 104573950
5-bromo-3-ethoxy-2-(2-methylpropoxy)benzonitrile
CID 100585803
4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile
CID 141478282
(3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine
CID 168530791
5-bromo-3-methyl-2-prop-2-ynoxybenzonitrile
CID 100584969
3,5-dibromo-4-propan-2-yloxybenzoic acid
CID 67041563
2-amino-5-bromo-3-methoxybenzonitrile
CID 10846901
5-bromo-2-propan-2-yloxybenzonitrile;(3-cyano-4-propan-2-yloxyphenyl)boronic acid
CID 159884898
methyl 5-bromo-3-cyano-2-(difluoromethoxy)benzoate
CID 171010903
3-acetyl-5-bromo-2-ethoxybenzonitrile
CID 171001173
5-bromo-2-(cyclobutylmethoxy)-3-methylbenzonitrile
CID 171919359

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-propan-2-yloxybenzonitrile?
The IUPAC name of 3,5-dibromo-2-propan-2-yloxybenzonitrile (CID 19619470) is 3,5-dibromo-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 3,5-dibromo-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 3,5-dibromo-2-propan-2-yloxybenzonitrile is CC(C)Oc1c(Br)cc(Br)cc1C#N.
What is the InChIKey of 3,5-dibromo-2-propan-2-yloxybenzonitrile?
The InChIKey is LAKZXUZDHAWRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO/c1-6(2)14-10-7(5-13)3-8(11)4-9(10)12/h3-4,6H,1-2H3.
What are the key properties of 3,5-dibromo-2-propan-2-yloxybenzonitrile?
3,5-dibromo-2-propan-2-yloxybenzonitrile has a molecular weight of 319.00 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 19619470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).