5-bromo-4-chloro-2-nitropyridine

C5H2BrClN2O2 — CID 118994717

IUPAC5-bromo-4-chloro-2-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)c(Br)cn1
InChIInChI=1S/C5H2BrClN2O2/c6-3-2-8-5(9(10)11)1-4(3)7/h1-2H
InChIKeyJKHRSHCUUQYVBK-UHFFFAOYSA-N
MW237.44 g/mol
LogP2.41
Rot. Bonds1

About 5-bromo-4-chloro-2-nitropyridine

5-bromo-4-chloro-2-nitropyridine (PubChem CID 118994717) has the molecular formula C5H2BrClN2O2 and a molecular weight of 237.44 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-nitropyridine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-nitropyridine
PubChem CID118994717
Molecular FormulaC5H2BrClN2O2
Molecular Weight237.44 g/mol
Exact Mass235.90
IUPAC Name5-bromo-4-chloro-2-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)c(Br)cn1
InChIInChI=1S/C5H2BrClN2O2/c6-3-2-8-5(9(10)11)1-4(3)7/h1-2H
InChIKeyJKHRSHCUUQYVBK-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

5-bromo-2-nitropyridine-4-carbonitrile
CID 130822879
5-chloro-4-methyl-2-nitropyridine
CID 77230639
4-chloro-5-methoxy-2-nitropyridine
CID 118850680
4-bromo-5-(chloromethyl)-2-nitropyridine
CID 118827535
4-bromo-5-(fluoromethyl)-2-nitropyridine
CID 118811714
4-chloro-7-nitro-1,6-naphthyridine
CID 133060789
5-bromo-3-nitroisoquinoline
CID 18183529
1,5-dibromo-2-chloro-4-nitrobenzene
CID 154213219
5-bromo-3-chloro-2-nitropyridine
CID 131027901
ethyl 4-chloro-6-nitropyridine-3-carboxylate
CID 133097798
4-chloro-2-nitropyridine
CID 2762847
4-bromo-5-chloro-2-nitrobenzaldehyde
CID 15366549

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-nitropyridine?
The IUPAC name of 5-bromo-4-chloro-2-nitropyridine (CID 118994717) is 5-bromo-4-chloro-2-nitropyridine.
What is the SMILES notation for 5-bromo-4-chloro-2-nitropyridine?
The canonical SMILES for 5-bromo-4-chloro-2-nitropyridine is O=[N+]([O-])c1cc(Cl)c(Br)cn1.
What is the InChIKey of 5-bromo-4-chloro-2-nitropyridine?
The InChIKey is JKHRSHCUUQYVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClN2O2/c6-3-2-8-5(9(10)11)1-4(3)7/h1-2H.
What are the key properties of 5-bromo-4-chloro-2-nitropyridine?
5-bromo-4-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-4-chloro-2-nitropyridine is sourced from PubChem (CID 118994717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).