4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile

C10H9BrFN3 — CID 107537698

IUPAC4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile
SMILESN#Cc1ccc(N2CC(N)C2)c(F)c1Br
InChIInChI=1S/C10H9BrFN3/c11-9-6(3-13)1-2-8(10(9)12)15-4-7(14)5-15/h1-2,7H,4-5,14H2
InChIKeySFWQDGPQDMWSLH-UHFFFAOYSA-N
MW270.11 g/mol
LogP1.61
Rot. Bonds1

About 4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile

4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile (PubChem CID 107537698) has the molecular formula C10H9BrFN3 and a molecular weight of 270.11 g/mol. Its IUPAC name is 4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile
PubChem CID107537698
Molecular FormulaC10H9BrFN3
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC Name4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile
SMILESN#Cc1ccc(N2CC(N)C2)c(F)c1Br
InChIInChI=1S/C10H9BrFN3/c11-9-6(3-13)1-2-8(10(9)12)15-4-7(14)5-15/h1-2,7H,4-5,14H2
InChIKeySFWQDGPQDMWSLH-UHFFFAOYSA-N
XLogP1.61
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopyrrolidin-1-yl)-2-bromo-3-fluorobenzonitrile
CID 107537637
4-[(3R)-3-aminopiperidin-1-yl]-2-bromo-3-fluorobenzonitrile
CID 107537790
2-bromo-3-fluoro-4-(4-hydroxypiperidin-1-yl)benzonitrile
CID 107533122
2-bromo-3-fluoro-4-[3-(methylamino)pyrrolidin-1-yl]benzonitrile
CID 107537748
1-(3-bromo-4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid
CID 107532773
2-bromo-3-fluoro-4-(3-formylpiperidin-1-yl)benzonitrile
CID 107539895
2-bromo-4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorobenzonitrile
CID 107533687
2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)benzonitrile
CID 107534127
2-bromo-3-fluoro-4-(1,4-oxazepan-4-yl)benzonitrile
CID 107533633
3-[1-(3-bromo-4-cyano-2-fluorophenyl)piperidin-4-yl]propanoic acid
CID 107532828
2-bromo-3-fluoro-4-(3-oxopiperidin-1-yl)benzonitrile
CID 107535741
4-(3,4-dimethylpyrrolidin-1-yl)-2,3-difluorobenzonitrile
CID 107933955

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile?
The IUPAC name of 4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile (CID 107537698) is 4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile.
What is the SMILES notation for 4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile?
The canonical SMILES for 4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile is N#Cc1ccc(N2CC(N)C2)c(F)c1Br.
What is the InChIKey of 4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile?
The InChIKey is SFWQDGPQDMWSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c11-9-6(3-13)1-2-8(10(9)12)15-4-7(14)5-15/h1-2,7H,4-5,14H2.
What are the key properties of 4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile?
4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile has a molecular weight of 270.11 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile is sourced from PubChem (CID 107537698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).