5-bromo-3-chloro-2-nitropyridine

C5H2BrClN2O2 — CID 131027901

IUPAC5-bromo-3-chloro-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(Br)cc1Cl
InChIInChI=1S/C5H2BrClN2O2/c6-3-1-4(7)5(8-2-3)9(10)11/h1-2H
InChIKeyYUIHWGKVSBJYCR-UHFFFAOYSA-N
MW237.44 g/mol
LogP2.41
Rot. Bonds1

About 5-bromo-3-chloro-2-nitropyridine

5-bromo-3-chloro-2-nitropyridine (PubChem CID 131027901) has the molecular formula C5H2BrClN2O2 and a molecular weight of 237.44 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-nitropyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-nitropyridine
PubChem CID131027901
Molecular FormulaC5H2BrClN2O2
Molecular Weight237.44 g/mol
Exact Mass235.90
IUPAC Name5-bromo-3-chloro-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(Br)cc1Cl
InChIInChI=1S/C5H2BrClN2O2/c6-3-1-4(7)5(8-2-3)9(10)11/h1-2H
InChIKeyYUIHWGKVSBJYCR-UHFFFAOYSA-N
XLogP2.41
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 131030308
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5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine
CID 103583502
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721
3-benzylsulfanyl-5-bromo-2-nitropyridine
CID 164858730
2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine
CID 141392740
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CID 103583764
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CID 102614066
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-nitropyridine?
The IUPAC name of 5-bromo-3-chloro-2-nitropyridine (CID 131027901) is 5-bromo-3-chloro-2-nitropyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-nitropyridine?
The canonical SMILES for 5-bromo-3-chloro-2-nitropyridine is O=[N+]([O-])c1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-2-nitropyridine?
The InChIKey is YUIHWGKVSBJYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClN2O2/c6-3-1-4(7)5(8-2-3)9(10)11/h1-2H.
What are the key properties of 5-bromo-3-chloro-2-nitropyridine?
5-bromo-3-chloro-2-nitropyridine has a molecular weight of 237.44 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-nitropyridine is sourced from PubChem (CID 131027901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).