3-bromo-2,5-difluoro-6-nitroaniline

C6H3BrF2N2O2 — CID 142620682

IUPAC3-bromo-2,5-difluoro-6-nitroaniline
SMILESNc1c(F)c(Br)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C6H3BrF2N2O2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H,10H2
InChIKeyUJRZUFNUBSHLDQ-UHFFFAOYSA-N
MW253.00 g/mol
LogP2.22
Rot. Bonds1

About 3-bromo-2,5-difluoro-6-nitroaniline

3-bromo-2,5-difluoro-6-nitroaniline (PubChem CID 142620682) has the molecular formula C6H3BrF2N2O2 and a molecular weight of 253.00 g/mol. Its IUPAC name is 3-bromo-2,5-difluoro-6-nitroaniline.

Molecular Properties

Compound Name3-bromo-2,5-difluoro-6-nitroaniline
PubChem CID142620682
Molecular FormulaC6H3BrF2N2O2
Molecular Weight253.00 g/mol
Exact Mass251.93
IUPAC Name3-bromo-2,5-difluoro-6-nitroaniline
SMILESNc1c(F)c(Br)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C6H3BrF2N2O2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H,10H2
InChIKeyUJRZUFNUBSHLDQ-UHFFFAOYSA-N
XLogP2.22
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.00
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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

2-amino-6-bromo-4-fluoro-3-nitrophenol
CID 90409818
4-bromo-6-fluoro-3-methyl-2-nitroaniline
CID 130562796
3-bromo-5-fluoro-2-methanimidoyl-6-nitroaniline
CID 171564931
3-bromo-5-fluoro-2-nitro-6-(trifluoromethyl)aniline
CID 118338194
1-bromo-2,5-difluoro-4-methoxy-3-nitrobenzene
CID 170434827
4-bromo-2,6-difluoro-3-nitrobenzamide
CID 118338248
2,4-dibromo-1,5-difluoro-3-nitrobenzene
CID 56973647
3-bromo-5-fluoro-2-[(4-methylphenyl)methyliminomethyl]-6-nitroaniline
CID 171564943
2-amino-5-bromo-6-fluoro-3-nitrobenzonitrile
CID 86662399
5-bromo-3-fluoro-2-nitrobenzonitrile
CID 131028788
2-bromo-4-fluoro-3-nitroaniline
CID 119019567
1-(5-amino-3-fluoro-2-nitrophenyl)-2-bromoethanone
CID 171018676

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-difluoro-6-nitroaniline?
The IUPAC name of 3-bromo-2,5-difluoro-6-nitroaniline (CID 142620682) is 3-bromo-2,5-difluoro-6-nitroaniline.
What is the SMILES notation for 3-bromo-2,5-difluoro-6-nitroaniline?
The canonical SMILES for 3-bromo-2,5-difluoro-6-nitroaniline is Nc1c(F)c(Br)cc(F)c1[N+](=O)[O-].
What is the InChIKey of 3-bromo-2,5-difluoro-6-nitroaniline?
The InChIKey is UJRZUFNUBSHLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2N2O2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H,10H2.
What are the key properties of 3-bromo-2,5-difluoro-6-nitroaniline?
3-bromo-2,5-difluoro-6-nitroaniline has a molecular weight of 253.00 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-difluoro-6-nitroaniline is sourced from PubChem (CID 142620682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).