5-bromo-4-nitropyridine-3-carbaldehyde

C6H3BrN2O3 — CID 131052824

IUPAC5-bromo-4-nitropyridine-3-carbaldehyde
SMILESO=Cc1cncc(Br)c1[N+](=O)[O-]
InChIInChI=1S/C6H3BrN2O3/c7-5-2-8-1-4(3-10)6(5)9(11)12/h1-3H
InChIKeyIKELXRSWBFFFEA-UHFFFAOYSA-N
MW231.00 g/mol
LogP1.56
Rot. Bonds2

About 5-bromo-4-nitropyridine-3-carbaldehyde

5-bromo-4-nitropyridine-3-carbaldehyde (PubChem CID 131052824) has the molecular formula C6H3BrN2O3 and a molecular weight of 231.00 g/mol. Its IUPAC name is 5-bromo-4-nitropyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-4-nitropyridine-3-carbaldehyde
PubChem CID131052824
Molecular FormulaC6H3BrN2O3
Molecular Weight231.00 g/mol
Exact Mass229.93
IUPAC Name5-bromo-4-nitropyridine-3-carbaldehyde
SMILESO=Cc1cncc(Br)c1[N+](=O)[O-]
InChIInChI=1S/C6H3BrN2O3/c7-5-2-8-1-4(3-10)6(5)9(11)12/h1-3H
InChIKeyIKELXRSWBFFFEA-UHFFFAOYSA-N
XLogP1.56
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.00
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-bromo-4-nitropyridine-3-carboxamide
CID 130893277
3-bromo-5-nitropyridine-4-carbaldehyde
CID 130966460
3-bromo-2-nitro-5-(trifluoromethyl)benzaldehyde
CID 171000394
4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde
CID 130069917
5-bromo-2-hydroxy-4-methyl-3-nitrobenzaldehyde
CID 7172106
4-bromo-3-nitropyridine-2-carbaldehyde
CID 90847348
7-bromo-4-nitro-1,3-benzodioxole-5-carbaldehyde
CID 59176011
2-nitro-3-pyrimidin-5-ylbenzaldehyde
CID 170759857
4-bromo-5-chloro-2-nitrobenzaldehyde
CID 15366549
4-bromo-2-methyl-5-nitrobenzaldehyde
CID 22931299
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134682378
2-nitro-3-sulfanylbenzaldehyde
CID 89138757

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-nitropyridine-3-carbaldehyde?
The IUPAC name of 5-bromo-4-nitropyridine-3-carbaldehyde (CID 131052824) is 5-bromo-4-nitropyridine-3-carbaldehyde.
What is the SMILES notation for 5-bromo-4-nitropyridine-3-carbaldehyde?
The canonical SMILES for 5-bromo-4-nitropyridine-3-carbaldehyde is O=Cc1cncc(Br)c1[N+](=O)[O-].
What is the InChIKey of 5-bromo-4-nitropyridine-3-carbaldehyde?
The InChIKey is IKELXRSWBFFFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O3/c7-5-2-8-1-4(3-10)6(5)9(11)12/h1-3H.
What are the key properties of 5-bromo-4-nitropyridine-3-carbaldehyde?
5-bromo-4-nitropyridine-3-carbaldehyde has a molecular weight of 231.00 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-nitropyridine-3-carbaldehyde is sourced from PubChem (CID 131052824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).