2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile

C16H9BrFN3 — CID 107600392

IUPAC2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1Nc1c(F)cccc1Br
InChIInChI=1S/C16H9BrFN3/c17-12-5-3-6-13(18)15(12)21-16-11(9-19)8-10-4-1-2-7-14(10)20-16/h1-8H,(H,20,21)
InChIKeyAMFYHIOCFUYRAU-UHFFFAOYSA-N
MW342.17 g/mol
LogP4.75
Rot. Bonds2

About 2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile

2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile (PubChem CID 107600392) has the molecular formula C16H9BrFN3 and a molecular weight of 342.17 g/mol. Its IUPAC name is 2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile
PubChem CID107600392
Molecular FormulaC16H9BrFN3
Molecular Weight342.17 g/mol
Exact Mass341.00
IUPAC Name2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1Nc1c(F)cccc1Br
InChIInChI=1S/C16H9BrFN3/c17-12-5-3-6-13(18)15(12)21-16-11(9-19)8-10-4-1-2-7-14(10)20-16/h1-8H,(H,20,21)
InChIKeyAMFYHIOCFUYRAU-UHFFFAOYSA-N
XLogP4.75
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile
CID 66255713
2-(hydroxyamino)quinoline-3-carbonitrile
CID 130500627
N-(2-bromo-6-fluorophenyl)-2-chloroquinazolin-4-amine
CID 107602343
5-amino-6-(2-bromo-6-fluoroanilino)pyridine-3-carbonitrile
CID 107596632
2-amino-3-(2-bromo-6-fluoroanilino)benzonitrile
CID 107596630
2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile
CID 107600391
4-(2-bromo-6-fluoroanilino)benzonitrile
CID 107600374
2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile
CID 83233797
2-bromo-4-(2,6-difluoroanilino)benzonitrile
CID 107275893
3-fluoronaphthalene-2-carbonitrile
CID 53485645
2-bromo-6-fluoro-N-(quinolin-2-ylmethyl)aniline
CID 107598456
2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 140511768

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile?
The IUPAC name of 2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile (CID 107600392) is 2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile?
The canonical SMILES for 2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1Nc1c(F)cccc1Br.
What is the InChIKey of 2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile?
The InChIKey is AMFYHIOCFUYRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrFN3/c17-12-5-3-6-13(18)15(12)21-16-11(9-19)8-10-4-1-2-7-14(10)20-16/h1-8H,(H,20,21).
What are the key properties of 2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile?
2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile has a molecular weight of 342.17 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 107600392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).