2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine

C12H8BrFN2O — CID 123391783

IUPAC2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine
SMILESO=NC(c1ccccn1)c1cccc(Br)c1F
InChIInChI=1S/C12H8BrFN2O/c13-9-5-3-4-8(11(9)14)12(16-17)10-6-1-2-7-15-10/h1-7,12H
InChIKeyFDCUSWYLSONULF-UHFFFAOYSA-N
MW295.11 g/mol
LogP3.84
Rot. Bonds3

About 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine

2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine (PubChem CID 123391783) has the molecular formula C12H8BrFN2O and a molecular weight of 295.11 g/mol. Its IUPAC name is 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine.

Molecular Properties

Compound Name2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine
PubChem CID123391783
Molecular FormulaC12H8BrFN2O
Molecular Weight295.11 g/mol
Exact Mass293.98
IUPAC Name2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine
SMILESO=NC(c1ccccn1)c1cccc(Br)c1F
InChIInChI=1S/C12H8BrFN2O/c13-9-5-3-4-8(11(9)14)12(16-17)10-6-1-2-7-15-10/h1-7,12H
InChIKeyFDCUSWYLSONULF-UHFFFAOYSA-N
XLogP3.84
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine?
The IUPAC name of 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine (CID 123391783) is 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine.
What is the SMILES notation for 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine?
The canonical SMILES for 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine is O=NC(c1ccccn1)c1cccc(Br)c1F.
What is the InChIKey of 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine?
The InChIKey is FDCUSWYLSONULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O/c13-9-5-3-4-8(11(9)14)12(16-17)10-6-1-2-7-15-10/h1-7,12H.
What are the key properties of 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine?
2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine has a molecular weight of 295.11 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]pyridine is sourced from PubChem (CID 123391783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).