4-bromo-3-nitropyridine-2-carbaldehyde

C6H3BrN2O3 — CID 90847348

IUPAC4-bromo-3-nitropyridine-2-carbaldehyde
SMILESO=Cc1nccc(Br)c1[N+](=O)[O-]
InChIInChI=1S/C6H3BrN2O3/c7-4-1-2-8-5(3-10)6(4)9(11)12/h1-3H
InChIKeyLMCYJSUKCQJFHH-UHFFFAOYSA-N
MW231.00 g/mol
LogP1.56
Rot. Bonds2

About 4-bromo-3-nitropyridine-2-carbaldehyde

4-bromo-3-nitropyridine-2-carbaldehyde (PubChem CID 90847348) has the molecular formula C6H3BrN2O3 and a molecular weight of 231.00 g/mol. Its IUPAC name is 4-bromo-3-nitropyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-3-nitropyridine-2-carbaldehyde
PubChem CID90847348
Molecular FormulaC6H3BrN2O3
Molecular Weight231.00 g/mol
Exact Mass229.93
IUPAC Name4-bromo-3-nitropyridine-2-carbaldehyde
SMILESO=Cc1nccc(Br)c1[N+](=O)[O-]
InChIInChI=1S/C6H3BrN2O3/c7-4-1-2-8-5(3-10)6(4)9(11)12/h1-3H
InChIKeyLMCYJSUKCQJFHH-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

(E)-3-(4-bromo-3-nitro-2-pyridinyl)prop-2-enoic acid
CID 133097952
3-methyl-4-nitropyridine-2-carbaldehyde
CID 118192717
6-bromo-1-methyl-5-nitroisoquinoline
CID 154728520
4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 118844660
1,2,4-tribromo-3-nitrobenzene
CID 118837685
5-bromo-4-nitropyridine-3-carbaldehyde
CID 131052824
4-amino-3-bromopyridine-2-carbaldehyde
CID 118845870
4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine
CID 24903357
4-bromo-N-[(3-bromophenyl)methyl]-3-nitropyridin-2-amine
CID 24903288
(2-bromo-3-nitro-4-pyridinyl)methanol
CID 119016998
1-bromo-3-iodo-2-nitrobenzene
CID 66891034
5-bromo-4-nitro-2,3-dihydro-1H-indole
CID 618069

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-nitropyridine-2-carbaldehyde?
The IUPAC name of 4-bromo-3-nitropyridine-2-carbaldehyde (CID 90847348) is 4-bromo-3-nitropyridine-2-carbaldehyde.
What is the SMILES notation for 4-bromo-3-nitropyridine-2-carbaldehyde?
The canonical SMILES for 4-bromo-3-nitropyridine-2-carbaldehyde is O=Cc1nccc(Br)c1[N+](=O)[O-].
What is the InChIKey of 4-bromo-3-nitropyridine-2-carbaldehyde?
The InChIKey is LMCYJSUKCQJFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O3/c7-4-1-2-8-5(3-10)6(4)9(11)12/h1-3H.
What are the key properties of 4-bromo-3-nitropyridine-2-carbaldehyde?
4-bromo-3-nitropyridine-2-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 4-bromo-3-nitropyridine-2-carbaldehyde is sourced from PubChem (CID 90847348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).