4-bromo-5-chloro-2-nitrobenzaldehyde

C7H3BrClNO3 — CID 15366549

IUPAC4-bromo-5-chloro-2-nitrobenzaldehyde
SMILESO=Cc1cc(Cl)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C7H3BrClNO3/c8-5-2-7(10(12)13)4(3-11)1-6(5)9/h1-3H
InChIKeyYZXCTNJDIYOLKH-UHFFFAOYSA-N
MW264.46 g/mol
LogP2.82
Rot. Bonds2

About 4-bromo-5-chloro-2-nitrobenzaldehyde

4-bromo-5-chloro-2-nitrobenzaldehyde (PubChem CID 15366549) has the molecular formula C7H3BrClNO3 and a molecular weight of 264.46 g/mol. Its IUPAC name is 4-bromo-5-chloro-2-nitrobenzaldehyde.

Molecular Properties

Compound Name4-bromo-5-chloro-2-nitrobenzaldehyde
PubChem CID15366549
Molecular FormulaC7H3BrClNO3
Molecular Weight264.46 g/mol
Exact Mass262.90
IUPAC Name4-bromo-5-chloro-2-nitrobenzaldehyde
SMILESO=Cc1cc(Cl)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C7H3BrClNO3/c8-5-2-7(10(12)13)4(3-11)1-6(5)9/h1-3H
InChIKeyYZXCTNJDIYOLKH-UHFFFAOYSA-N
XLogP2.82
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 52.82
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

1,5-dibromo-2-chloro-4-nitrobenzene
CID 154213219
1-bromo-2-chloro-4-iodo-5-nitrobenzene
CID 50999507
2-amino-4-bromo-5-chlorobenzaldehyde
CID 118953742
2-amino-5-chloro-4-nitrobenzaldehyde
CID 11344681
(4-bromo-5-chloro-2-nitrophenyl)methanol
CID 131289970
5-bromo-2-nitrobenzaldehyde;hydrobromide
CID 175061203
5-bromo-4-ethoxy-2-nitrobenzaldehyde
CID 155438084
5-bromo-2-nitro-4-propan-2-yloxybenzaldehyde
CID 155437895
4-hydroxy-2,5-dinitrobenzaldehyde
CID 118176049
4-bromo-2-methyl-5-nitrobenzaldehyde
CID 22931299
3-nitronaphthalene-2-carbaldehyde
CID 12069028
sodium;1-bromo-2-chloro-5-fluoro-4-nitrobenzene;methanolate
CID 67469276

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-2-nitrobenzaldehyde?
The IUPAC name of 4-bromo-5-chloro-2-nitrobenzaldehyde (CID 15366549) is 4-bromo-5-chloro-2-nitrobenzaldehyde.
What is the SMILES notation for 4-bromo-5-chloro-2-nitrobenzaldehyde?
The canonical SMILES for 4-bromo-5-chloro-2-nitrobenzaldehyde is O=Cc1cc(Cl)c(Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-bromo-5-chloro-2-nitrobenzaldehyde?
The InChIKey is YZXCTNJDIYOLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNO3/c8-5-2-7(10(12)13)4(3-11)1-6(5)9/h1-3H.
What are the key properties of 4-bromo-5-chloro-2-nitrobenzaldehyde?
4-bromo-5-chloro-2-nitrobenzaldehyde has a molecular weight of 264.46 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-2-nitrobenzaldehyde is sourced from PubChem (CID 15366549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).