5-bromo-2-nitrobenzaldehyde;hydrobromide

C7H5Br2NO3 — CID 175061203

IUPAC5-bromo-2-nitrobenzaldehyde;hydrobromide
SMILESBr.O=Cc1cc(Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H4BrNO3.BrH/c8-6-1-2-7(9(11)12)5(3-6)4-10;/h1-4H;1H
InChIKeyXRGZKWRQONZRFI-UHFFFAOYSA-N
MW310.93 g/mol
LogP2.75
Rot. Bonds2

About 5-bromo-2-nitrobenzaldehyde;hydrobromide

5-bromo-2-nitrobenzaldehyde;hydrobromide (PubChem CID 175061203) has the molecular formula C7H5Br2NO3 and a molecular weight of 310.93 g/mol. Its IUPAC name is 5-bromo-2-nitrobenzaldehyde;hydrobromide.

Molecular Properties

Compound Name5-bromo-2-nitrobenzaldehyde;hydrobromide
PubChem CID175061203
Molecular FormulaC7H5Br2NO3
Molecular Weight310.93 g/mol
Exact Mass308.86
IUPAC Name5-bromo-2-nitrobenzaldehyde;hydrobromide
SMILESBr.O=Cc1cc(Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H4BrNO3.BrH/c8-6-1-2-7(9(11)12)5(3-6)4-10;/h1-4H;1H
InChIKeyXRGZKWRQONZRFI-UHFFFAOYSA-N
XLogP2.75
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.93
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-nitro-5-sulfanylbenzaldehyde
CID 54341187
potassium 4-bromo-2-formyl-6-nitrophenolate
CID 142770844
2-nitro-5-(4-nitrophenyl)benzaldehyde
CID 178001755
3-(5-bromo-2-nitrophenyl)-1-(3-bromophenyl)prop-2-en-1-one
CID 67164663
5-bromo-2-nitroaniline;methane
CID 139511978
4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene
CID 140870774
5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde
CID 176548411
4-bromo-5-chloro-2-nitrobenzaldehyde
CID 15366549
5-bromo-2-(4-bromo-2-formylphenyl)benzaldehyde
CID 11326094
sodium 2-nitrobenzaldehyde
CID 23669302
2-nitro-5-(trifluoromethoxy)benzaldehyde
CID 162535108
3-nitronaphthalene-2-carbaldehyde
CID 12069028

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-nitrobenzaldehyde;hydrobromide?
The IUPAC name of 5-bromo-2-nitrobenzaldehyde;hydrobromide (CID 175061203) is 5-bromo-2-nitrobenzaldehyde;hydrobromide.
What is the SMILES notation for 5-bromo-2-nitrobenzaldehyde;hydrobromide?
The canonical SMILES for 5-bromo-2-nitrobenzaldehyde;hydrobromide is Br.O=Cc1cc(Br)ccc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-2-nitrobenzaldehyde;hydrobromide?
The InChIKey is XRGZKWRQONZRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNO3.BrH/c8-6-1-2-7(9(11)12)5(3-6)4-10;/h1-4H;1H.
What are the key properties of 5-bromo-2-nitrobenzaldehyde;hydrobromide?
5-bromo-2-nitrobenzaldehyde;hydrobromide has a molecular weight of 310.93 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-nitrobenzaldehyde;hydrobromide is sourced from PubChem (CID 175061203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).