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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Related Compounds

6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile
CID 165460783
6,8-dibromo-1H-quinolin-2-one
CID 53399157
5-bromo-7-cyano-1H-indole-2-carboxylic acid
CID 125458482
6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile
CID 61474799
7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile
CID 165460779
6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 165453256
8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile
CID 69373032
2-oxo-1H-quinoline-3-carbonitrile;tribromoborane
CID 175799807
6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
CID 118939062
6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile
CID 82410886
naphthalene-2,3,6,7-tetracarbonitrile
CID 66972136
6-fluoro-2-oxo-1H-quinoline-3-carbonitrile
CID 22690302

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).