6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile

C10H4Br2N2O — CID 61474799

IUPAC6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c[nH]c2c(Br)cc(Br)cc2c1=O
InChIInChI=1S/C10H4Br2N2O/c11-6-1-7-9(8(12)2-6)14-4-5(3-13)10(7)15/h1-2,4H,(H,14,15)
InChIKeyMDVOCDFNVDWBJA-UHFFFAOYSA-N
MW327.96 g/mol
LogP2.92
Rot. Bonds

About 6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile

6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile (PubChem CID 61474799) has the molecular formula C10H4Br2N2O and a molecular weight of 327.96 g/mol. Its IUPAC name is 6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile
PubChem CID61474799
Molecular FormulaC10H4Br2N2O
Molecular Weight327.96 g/mol
Exact Mass325.87
IUPAC Name6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1c[nH]c2c(Br)cc(Br)cc2c1=O
InChIInChI=1S/C10H4Br2N2O/c11-6-1-7-9(8(12)2-6)14-4-5(3-13)10(7)15/h1-2,4H,(H,14,15)
InChIKeyMDVOCDFNVDWBJA-UHFFFAOYSA-N
XLogP2.92
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.96
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile (CID 61474799) is 6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile is N#Cc1c[nH]c2c(Br)cc(Br)cc2c1=O.
What is the InChIKey of 6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is MDVOCDFNVDWBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br2N2O/c11-6-1-7-9(8(12)2-6)14-4-5(3-13)10(7)15/h1-2,4H,(H,14,15).
What are the key properties of 6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile?
6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 327.96 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 61474799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).