4-bromo-6-fluoro-3-methyl-2-nitroaniline

C7H6BrFN2O2 — CID 130562796

IUPAC4-bromo-6-fluoro-3-methyl-2-nitroaniline
SMILESCc1c(Br)cc(F)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H6BrFN2O2/c1-3-4(8)2-5(9)6(10)7(3)11(12)13/h2H,10H2,1H3
InChIKeySURRBKRYEZSBCM-UHFFFAOYSA-N
MW249.04 g/mol
LogP2.39
Rot. Bonds1

About 4-bromo-6-fluoro-3-methyl-2-nitroaniline

4-bromo-6-fluoro-3-methyl-2-nitroaniline (PubChem CID 130562796) has the molecular formula C7H6BrFN2O2 and a molecular weight of 249.04 g/mol. Its IUPAC name is 4-bromo-6-fluoro-3-methyl-2-nitroaniline.

Molecular Properties

Compound Name4-bromo-6-fluoro-3-methyl-2-nitroaniline
PubChem CID130562796
Molecular FormulaC7H6BrFN2O2
Molecular Weight249.04 g/mol
Exact Mass247.96
IUPAC Name4-bromo-6-fluoro-3-methyl-2-nitroaniline
SMILESCc1c(Br)cc(F)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H6BrFN2O2/c1-3-4(8)2-5(9)6(10)7(3)11(12)13/h2H,10H2,1H3
InChIKeySURRBKRYEZSBCM-UHFFFAOYSA-N
XLogP2.39
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.04
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-bromo-5-fluoro-4-iodo-2-methyl-3-nitrobenzene
CID 87222672
3-bromo-2,5-difluoro-6-nitroaniline
CID 142620682
4-bromo-2,6-difluoro-3-methylaniline
CID 57493956
2-amino-6-bromo-4-fluoro-3-nitrophenol
CID 90409818
3-bromo-5-fluoro-2-nitro-6-(trifluoromethyl)aniline
CID 118338194
1-bromo-2,3,5-trimethyl-4-nitrobenzene
CID 175398096
3-bromo-5-fluoro-2-methanimidoyl-6-nitroaniline
CID 171564931
methyl 5-bromo-2-fluoro-4-methyl-3-nitrobenzoate
CID 134818579
6-bromo-2,3-dimethyl-4-nitroaniline
CID 71650966
3-bromo-6-methyl-2-nitroaniline
CID 84726344
5-bromo-4-methyl-3-nitropyridin-2-amine;ethane
CID 143994172
2,4-dibromo-1,5-difluoro-3-nitrobenzene
CID 56973647

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-3-methyl-2-nitroaniline?
The IUPAC name of 4-bromo-6-fluoro-3-methyl-2-nitroaniline (CID 130562796) is 4-bromo-6-fluoro-3-methyl-2-nitroaniline.
What is the SMILES notation for 4-bromo-6-fluoro-3-methyl-2-nitroaniline?
The canonical SMILES for 4-bromo-6-fluoro-3-methyl-2-nitroaniline is Cc1c(Br)cc(F)c(N)c1[N+](=O)[O-].
What is the InChIKey of 4-bromo-6-fluoro-3-methyl-2-nitroaniline?
The InChIKey is SURRBKRYEZSBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O2/c1-3-4(8)2-5(9)6(10)7(3)11(12)13/h2H,10H2,1H3.
What are the key properties of 4-bromo-6-fluoro-3-methyl-2-nitroaniline?
4-bromo-6-fluoro-3-methyl-2-nitroaniline has a molecular weight of 249.04 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-3-methyl-2-nitroaniline is sourced from PubChem (CID 130562796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).