2-oxo-1H-quinoline-3-carbonitrile;tribromoborane

C10H6BBr3N2O — CID 175799807

IUPAC2-oxo-1H-quinoline-3-carbonitrile;tribromoborane
SMILESBrB(Br)Br.N#Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C10H6N2O.BBr3/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13;2-1(3)4/h1-5H,(H,12,13);
InChIKeyVCBNPHVBUJNZEX-UHFFFAOYSA-N
MW420.70 g/mol
LogP3.56
Rot. Bonds

About 2-oxo-1H-quinoline-3-carbonitrile;tribromoborane

2-oxo-1H-quinoline-3-carbonitrile;tribromoborane (PubChem CID 175799807) has the molecular formula C10H6BBr3N2O and a molecular weight of 420.70 g/mol. Its IUPAC name is 2-oxo-1H-quinoline-3-carbonitrile;tribromoborane.

Molecular Properties

Compound Name2-oxo-1H-quinoline-3-carbonitrile;tribromoborane
PubChem CID175799807
Molecular FormulaC10H6BBr3N2O
Molecular Weight420.70 g/mol
Exact Mass417.81
IUPAC Name2-oxo-1H-quinoline-3-carbonitrile;tribromoborane
SMILESBrB(Br)Br.N#Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C10H6N2O.BBr3/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13;2-1(3)4/h1-5H,(H,12,13);
InChIKeyVCBNPHVBUJNZEX-UHFFFAOYSA-N
XLogP3.56
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.70
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-2-oxo-1H-quinoline-3-carbonitrile
CID 22690302
5-chloro-2-oxo-1H-quinoline-3-carbonitrile
CID 139530349
copper bis(2-oxo-1H-quinolin-3-olate)
CID 67199859
3-nitroso-1H-quinolin-2-one
CID 22103970
3-(18F)fluoro-1H-quinolin-2-one
CID 158117840
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-hydroxy-1H-quinolin-2-one
CID 818159
naphthalene-2,3-dicarbonitrile
CID 601270
6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
CID 118939062
2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
CID 131842504
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 166458088

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-quinoline-3-carbonitrile;tribromoborane?
The IUPAC name of 2-oxo-1H-quinoline-3-carbonitrile;tribromoborane (CID 175799807) is 2-oxo-1H-quinoline-3-carbonitrile;tribromoborane.
What is the SMILES notation for 2-oxo-1H-quinoline-3-carbonitrile;tribromoborane?
The canonical SMILES for 2-oxo-1H-quinoline-3-carbonitrile;tribromoborane is BrB(Br)Br.N#Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2-oxo-1H-quinoline-3-carbonitrile;tribromoborane?
The InChIKey is VCBNPHVBUJNZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O.BBr3/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13;2-1(3)4/h1-5H,(H,12,13);.
What are the key properties of 2-oxo-1H-quinoline-3-carbonitrile;tribromoborane?
2-oxo-1H-quinoline-3-carbonitrile;tribromoborane has a molecular weight of 420.70 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-quinoline-3-carbonitrile;tribromoborane is sourced from PubChem (CID 175799807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).