4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile

C11H8Br2N2O — CID 15683954

IUPAC4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile
SMILESCc1c(C#N)c2c(Br)c(O)c(Br)cc2n1C
InChIInChI=1S/C11H8Br2N2O/c1-5-6(4-14)9-8(15(5)2)3-7(12)11(16)10(9)13/h3,16H,1-2H3
InChIKeyGKNDFDCONMHIPD-UHFFFAOYSA-N
MW344.01 g/mol
LogP3.59
Rot. Bonds

About 4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile

4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile (PubChem CID 15683954) has the molecular formula C11H8Br2N2O and a molecular weight of 344.01 g/mol. Its IUPAC name is 4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile.

Molecular Properties

Compound Name4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile
PubChem CID15683954
Molecular FormulaC11H8Br2N2O
Molecular Weight344.01 g/mol
Exact Mass341.90
IUPAC Name4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile
SMILESCc1c(C#N)c2c(Br)c(O)c(Br)cc2n1C
InChIInChI=1S/C11H8Br2N2O/c1-5-6(4-14)9-8(15(5)2)3-7(12)11(16)10(9)13/h3,16H,1-2H3
InChIKeyGKNDFDCONMHIPD-UHFFFAOYSA-N
XLogP3.59
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.01
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile?
The IUPAC name of 4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile (CID 15683954) is 4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile.
What is the SMILES notation for 4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile?
The canonical SMILES for 4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile is Cc1c(C#N)c2c(Br)c(O)c(Br)cc2n1C.
What is the InChIKey of 4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile?
The InChIKey is GKNDFDCONMHIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O/c1-5-6(4-14)9-8(15(5)2)3-7(12)11(16)10(9)13/h3,16H,1-2H3.
What are the key properties of 4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile?
4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile has a molecular weight of 344.01 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile is sourced from PubChem (CID 15683954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).