3-bromo-5-nitropyridine-4-carbaldehyde

C6H3BrN2O3 — CID 130966460

IUPAC3-bromo-5-nitropyridine-4-carbaldehyde
SMILESO=Cc1c(Br)cncc1[N+](=O)[O-]
InChIInChI=1S/C6H3BrN2O3/c7-5-1-8-2-6(9(11)12)4(5)3-10/h1-3H
InChIKeyKNENIXCLAGLSQY-UHFFFAOYSA-N
MW231.00 g/mol
LogP1.56
Rot. Bonds2

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

3-bromo-5-nitropyridine-4-carbaldehyde (PubChem CID 130966460) has the molecular formula C6H3BrN2O3 and a molecular weight of 231.00 g/mol. Its IUPAC name is 3-bromo-5-nitropyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-bromo-5-nitropyridine-4-carbaldehyde
PubChem CID130966460
Molecular FormulaC6H3BrN2O3
Molecular Weight231.00 g/mol
Exact Mass229.93
IUPAC Name3-bromo-5-nitropyridine-4-carbaldehyde
SMILESO=Cc1c(Br)cncc1[N+](=O)[O-]
InChIInChI=1S/C6H3BrN2O3/c7-5-1-8-2-6(9(11)12)4(5)3-10/h1-3H
InChIKeyKNENIXCLAGLSQY-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-carbaldehyde
CID 131052824
3-bromo-5-nitro-4-pyrazol-1-ylpyridine
CID 103519846
2-(3-bromo-5-nitro-4-pyridinyl)propanedioic acid
CID 68655260
4-bromo-5-nitropyridin-3-amine
CID 130705399
2-[(3-bromo-5-nitro-4-pyridinyl)sulfanyl]ethanol
CID 103519510
2-bromo-6-nitro-4-(trifluoromethyl)benzaldehyde
CID 54756953
3-bromo-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-4-amine
CID 103519427
(4-bromo-5-nitro-3-pyridinyl)methanol
CID 131191096
3-bromo-N-(2-methylcyclopropyl)-5-nitropyridin-4-amine
CID 103877991
4-N-(3-bromo-5-nitro-4-pyridinyl)benzene-1,4-diamine
CID 103519110
1-[(3-bromo-5-nitro-4-pyridinyl)amino]cyclobutane-1-carboxylic acid
CID 103519000
2-acetyl-3-bromo-6-nitrobenzaldehyde
CID 171003778

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitropyridine-4-carbaldehyde?
The IUPAC name of 3-bromo-5-nitropyridine-4-carbaldehyde (CID 130966460) is 3-bromo-5-nitropyridine-4-carbaldehyde.
What is the SMILES notation for 3-bromo-5-nitropyridine-4-carbaldehyde?
The canonical SMILES for 3-bromo-5-nitropyridine-4-carbaldehyde is O=Cc1c(Br)cncc1[N+](=O)[O-].
What is the InChIKey of 3-bromo-5-nitropyridine-4-carbaldehyde?
The InChIKey is KNENIXCLAGLSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O3/c7-5-1-8-2-6(9(11)12)4(5)3-10/h1-3H.
What are the key properties of 3-bromo-5-nitropyridine-4-carbaldehyde?
3-bromo-5-nitropyridine-4-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 3-bromo-5-nitropyridine-4-carbaldehyde is sourced from PubChem (CID 130966460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).