2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile

C16H8BrFN2O — CID 83233797

IUPAC2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C16H8BrFN2O/c17-13-8-12(5-6-14(13)18)21-16-11(9-19)7-10-3-1-2-4-15(10)20-16/h1-8H
InChIKeyKYDHOGWNKIQECS-UHFFFAOYSA-N
MW343.16 g/mol
LogP4.80
Rot. Bonds2

About 2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile

2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile (PubChem CID 83233797) has the molecular formula C16H8BrFN2O and a molecular weight of 343.16 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile
PubChem CID83233797
Molecular FormulaC16H8BrFN2O
Molecular Weight343.16 g/mol
Exact Mass341.98
IUPAC Name2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C16H8BrFN2O/c17-13-8-12(5-6-14(13)18)21-16-11(9-19)7-10-3-1-2-4-15(10)20-16/h1-8H
InChIKeyKYDHOGWNKIQECS-UHFFFAOYSA-N
XLogP4.80
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile
CID 64602527
2-(3-bromo-4-fluorophenoxy)quinazoline
CID 114788785
2-aminooxyquinoline-3-carbonitrile
CID 79428032
2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile
CID 155910711
3-fluoronaphthalene-2-carbonitrile
CID 53485645
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile
CID 855525
6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile
CID 133435042
2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile
CID 107600392
4-(3-bromo-4-fluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile
CID 83232543
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883103
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine
CID 83234949

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile (CID 83233797) is 2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile?
The InChIKey is KYDHOGWNKIQECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrFN2O/c17-13-8-12(5-6-14(13)18)21-16-11(9-19)7-10-3-1-2-4-15(10)20-16/h1-8H.
What are the key properties of 2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile?
2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile has a molecular weight of 343.16 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 83233797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).