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

C7H6BrFN2O — CID 162735848

IUPAC4-bromo-3-fluoro-N-methyl-2-nitrosoaniline
SMILESCNc1ccc(Br)c(F)c1N=O
InChIInChI=1S/C7H6BrFN2O/c1-10-5-3-2-4(8)6(9)7(5)11-12/h2-3,10H,1H3
InChIKeyTYMUZSZDUMATTN-UHFFFAOYSA-N
MW233.04 g/mol
LogP3.03
Rot. Bonds2

About 4-bromo-3-fluoro-N-methyl-2-nitrosoaniline

4-bromo-3-fluoro-N-methyl-2-nitrosoaniline (PubChem CID 162735848) has the molecular formula C7H6BrFN2O and a molecular weight of 233.04 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-methyl-2-nitrosoaniline.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-methyl-2-nitrosoaniline
PubChem CID162735848
Molecular FormulaC7H6BrFN2O
Molecular Weight233.04 g/mol
Exact Mass231.96
IUPAC Name4-bromo-3-fluoro-N-methyl-2-nitrosoaniline
SMILESCNc1ccc(Br)c(F)c1N=O
InChIInChI=1S/C7H6BrFN2O/c1-10-5-3-2-4(8)6(9)7(5)11-12/h2-3,10H,1H3
InChIKeyTYMUZSZDUMATTN-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

4-bromo-3-fluoro-N-methyl-2-nitroaniline;3-fluoro-N-methyl-2-nitroaniline
CID 155047884
5-bromo-N-methylbicyclo[4.2.0]octa-1,3,5-trien-2-amine
CID 175242813
1-bromo-3,4-dimethyl-2-nitrosobenzene
CID 174861942
ethane;2,3,4-trifluoro-N-methylaniline
CID 157043663
2-bromo-3-fluoro-N-methyl-6-nitrosoaniline
CID 171554405
1-(4-bromo-2,3-difluorophenyl)-3-ethylurea
CID 66687850
(4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid
CID 146176434
2-bromo-5-tert-butyl-N-methylaniline;hydrochloride
CID 167741746
2,3-difluoro-4-(methylamino)benzaldehyde
CID 141426329
2,4-difluoro-N,3-dimethylaniline
CID 134441747
(4-bromo-3-fluoro-2-iodophenyl)carbamic acid
CID 23000113
N-methyl-2-nitroso-4-(pentafluoro-λ6-sulfanyl)aniline
CID 146742531

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-methyl-2-nitrosoaniline?
The IUPAC name of 4-bromo-3-fluoro-N-methyl-2-nitrosoaniline (CID 162735848) is 4-bromo-3-fluoro-N-methyl-2-nitrosoaniline.
What is the SMILES notation for 4-bromo-3-fluoro-N-methyl-2-nitrosoaniline?
The canonical SMILES for 4-bromo-3-fluoro-N-methyl-2-nitrosoaniline is CNc1ccc(Br)c(F)c1N=O.
What is the InChIKey of 4-bromo-3-fluoro-N-methyl-2-nitrosoaniline?
The InChIKey is TYMUZSZDUMATTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O/c1-10-5-3-2-4(8)6(9)7(5)11-12/h2-3,10H,1H3.
What are the key properties of 4-bromo-3-fluoro-N-methyl-2-nitrosoaniline?
4-bromo-3-fluoro-N-methyl-2-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 4-bromo-3-fluoro-N-methyl-2-nitrosoaniline is sourced from PubChem (CID 162735848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).