3-bromo-2-chloro-5-nitrosopyridine

C5H2BrClN2O — CID 146338687

IUPAC3-bromo-2-chloro-5-nitrosopyridine
SMILESO=Nc1cnc(Cl)c(Br)c1
InChIInChI=1S/C5H2BrClN2O/c6-4-1-3(9-10)2-8-5(4)7/h1-2H
InChIKeySRXCWYMOHNFKNY-UHFFFAOYSA-N
MW221.44 g/mol
LogP2.90
Rot. Bonds1

About 3-bromo-2-chloro-5-nitrosopyridine

3-bromo-2-chloro-5-nitrosopyridine (PubChem CID 146338687) has the molecular formula C5H2BrClN2O and a molecular weight of 221.44 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-nitrosopyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-5-nitrosopyridine
PubChem CID146338687
Molecular FormulaC5H2BrClN2O
Molecular Weight221.44 g/mol
Exact Mass219.90
IUPAC Name3-bromo-2-chloro-5-nitrosopyridine
SMILESO=Nc1cnc(Cl)c(Br)c1
InChIInChI=1S/C5H2BrClN2O/c6-4-1-3(9-10)2-8-5(4)7/h1-2H
InChIKeySRXCWYMOHNFKNY-UHFFFAOYSA-N
XLogP2.90
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-nitrosopyridine?
The IUPAC name of 3-bromo-2-chloro-5-nitrosopyridine (CID 146338687) is 3-bromo-2-chloro-5-nitrosopyridine.
What is the SMILES notation for 3-bromo-2-chloro-5-nitrosopyridine?
The canonical SMILES for 3-bromo-2-chloro-5-nitrosopyridine is O=Nc1cnc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-2-chloro-5-nitrosopyridine?
The InChIKey is SRXCWYMOHNFKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClN2O/c6-4-1-3(9-10)2-8-5(4)7/h1-2H.
What are the key properties of 3-bromo-2-chloro-5-nitrosopyridine?
3-bromo-2-chloro-5-nitrosopyridine has a molecular weight of 221.44 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-nitrosopyridine is sourced from PubChem (CID 146338687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).