2-bromo-3-fluoro-N-methyl-6-nitrosoaniline

C7H6BrFN2O — CID 171554405

IUPAC2-bromo-3-fluoro-N-methyl-6-nitrosoaniline
SMILESCNc1c(N=O)ccc(F)c1Br
InChIInChI=1S/C7H6BrFN2O/c1-10-7-5(11-12)3-2-4(9)6(7)8/h2-3,10H,1H3
InChIKeyABNXOLLQWFJDPI-UHFFFAOYSA-N
MW233.04 g/mol
LogP3.03
Rot. Bonds2

About 2-bromo-3-fluoro-N-methyl-6-nitrosoaniline

2-bromo-3-fluoro-N-methyl-6-nitrosoaniline (PubChem CID 171554405) has the molecular formula C7H6BrFN2O and a molecular weight of 233.04 g/mol. Its IUPAC name is 2-bromo-3-fluoro-N-methyl-6-nitrosoaniline.

Molecular Properties

Compound Name2-bromo-3-fluoro-N-methyl-6-nitrosoaniline
PubChem CID171554405
Molecular FormulaC7H6BrFN2O
Molecular Weight233.04 g/mol
Exact Mass231.96
IUPAC Name2-bromo-3-fluoro-N-methyl-6-nitrosoaniline
SMILESCNc1c(N=O)ccc(F)c1Br
InChIInChI=1S/C7H6BrFN2O/c1-10-7-5(11-12)3-2-4(9)6(7)8/h2-3,10H,1H3
InChIKeyABNXOLLQWFJDPI-UHFFFAOYSA-N
XLogP3.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-fluoro-4-isocyanato-3-methylbenzene
CID 169355399
3-bromo-1-ethyl-2,4-difluorobenzene
CID 126670968
6-bromo-3-fluoro-N-methyl-2-nitroaniline
CID 164567208
2,3-difluoro-6-nitrosoaniline
CID 90887779
2-bromo-6-fluoro-N-methylaniline
CID 21161540
4-fluoro-N-methyl-3-nitrosobenzenesulfonamide
CID 88876048
4-bromo-3-fluoro-N-methyl-2-nitrosoaniline
CID 162735848
2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene
CID 118830363
methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218
2,4-difluoro-3-(methylamino)phenol
CID 18457325
4-chloro-2,6-difluoro-N-methylaniline
CID 21161260
1,2,5-trifluoro-3-nitrosobenzene
CID 174866756

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-N-methyl-6-nitrosoaniline?
The IUPAC name of 2-bromo-3-fluoro-N-methyl-6-nitrosoaniline (CID 171554405) is 2-bromo-3-fluoro-N-methyl-6-nitrosoaniline.
What is the SMILES notation for 2-bromo-3-fluoro-N-methyl-6-nitrosoaniline?
The canonical SMILES for 2-bromo-3-fluoro-N-methyl-6-nitrosoaniline is CNc1c(N=O)ccc(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-N-methyl-6-nitrosoaniline?
The InChIKey is ABNXOLLQWFJDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O/c1-10-7-5(11-12)3-2-4(9)6(7)8/h2-3,10H,1H3.
What are the key properties of 2-bromo-3-fluoro-N-methyl-6-nitrosoaniline?
2-bromo-3-fluoro-N-methyl-6-nitrosoaniline has a molecular weight of 233.04 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-N-methyl-6-nitrosoaniline is sourced from PubChem (CID 171554405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).