6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile

C10H4Br2N2O — CID 125424664

IUPAC6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1cc2cc(Br)cc(Br)c2[nH]c1=O
InChIInChI=1S/C10H4Br2N2O/c11-7-2-5-1-6(4-13)10(15)14-9(5)8(12)3-7/h1-3H,(H,14,15)
InChIKeyCZNFLIGIGBGSEP-UHFFFAOYSA-N
MW327.96 g/mol
LogP2.92
Rot. Bonds

About 6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile

6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 125424664) has the molecular formula C10H4Br2N2O and a molecular weight of 327.96 g/mol. Its IUPAC name is 6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID125424664
Molecular FormulaC10H4Br2N2O
Molecular Weight327.96 g/mol
Exact Mass325.87
IUPAC Name6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1cc2cc(Br)cc(Br)c2[nH]c1=O
InChIInChI=1S/C10H4Br2N2O/c11-7-2-5-1-6(4-13)10(15)14-9(5)8(12)3-7/h1-3H,(H,14,15)
InChIKeyCZNFLIGIGBGSEP-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-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile (CID 125424664) is 6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile is N#Cc1cc2cc(Br)cc(Br)c2[nH]c1=O.
What is the InChIKey of 6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is CZNFLIGIGBGSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br2N2O/c11-7-2-5-1-6(4-13)10(15)14-9(5)8(12)3-7/h1-3H,(H,14,15).
What are the key properties of 6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile?
6,8-dibromo-2-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-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 125424664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).