6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile

C11H6BrFN2O — CID 165453256

IUPAC6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile
SMILESCc1c(Br)cc(F)c2[nH]c(=O)c(C#N)cc12
InChIInChI=1S/C11H6BrFN2O/c1-5-7-2-6(4-14)11(16)15-10(7)9(13)3-8(5)12/h2-3H,1H3,(H,15,16)
InChIKeyNNGLEXHQFRCUGA-UHFFFAOYSA-N
MW281.08 g/mol
LogP2.61
Rot. Bonds

About 6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile

6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 165453256) has the molecular formula C11H6BrFN2O and a molecular weight of 281.08 g/mol. Its IUPAC name is 6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID165453256
Molecular FormulaC11H6BrFN2O
Molecular Weight281.08 g/mol
Exact Mass279.96
IUPAC Name6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile
SMILESCc1c(Br)cc(F)c2[nH]c(=O)c(C#N)cc12
InChIInChI=1S/C11H6BrFN2O/c1-5-7-2-6(4-14)11(16)15-10(7)9(13)3-8(5)12/h2-3H,1H3,(H,15,16)
InChIKeyNNGLEXHQFRCUGA-UHFFFAOYSA-N
XLogP2.61
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-7-fluoro-2,4-dimethyl-1H-indole
CID 167477335
6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile
CID 125424664
5,7-difluoro-4-methyl-1H-indole-2-carbonitrile
CID 145311742
7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile
CID 165460779
4-bromo-2-fluoro-5-methylbenzonitrile
CID 34175419
sodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate
CID 23681906
6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile
CID 165460783
2,4-dibromo-6-fluoro-3-methylbenzonitrile
CID 177254799
4,5-dibromo-2-fluorobenzonitrile
CID 118846547
5-cyano-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 82410221
5-bromo-3-fluoro-2-methoxy-6-methylbenzonitrile
CID 117361663
7-fluoro-2-methyl-1H-indole-4-carbonitrile
CID 130048520

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile (CID 165453256) is 6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile is Cc1c(Br)cc(F)c2[nH]c(=O)c(C#N)cc12.
What is the InChIKey of 6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is NNGLEXHQFRCUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O/c1-5-7-2-6(4-14)11(16)15-10(7)9(13)3-8(5)12/h2-3H,1H3,(H,15,16).
What are the key properties of 6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile?
6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 281.08 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 165453256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).