2-[(6-bromo-3-pyridinyl)oxy]propanenitrile

C8H7BrN2O — CID 107396751

IUPAC2-[(6-bromo-3-pyridinyl)oxy]propanenitrile
SMILESCC(C#N)Oc1ccc(Br)nc1
InChIInChI=1S/C8H7BrN2O/c1-6(4-10)12-7-2-3-8(9)11-5-7/h2-3,5-6H,1H3
InChIKeyFEBYBKXLNMFILA-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.13
Rot. Bonds2

About 2-[(6-bromo-3-pyridinyl)oxy]propanenitrile

2-[(6-bromo-3-pyridinyl)oxy]propanenitrile (PubChem CID 107396751) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 2-[(6-bromo-3-pyridinyl)oxy]propanenitrile.

Molecular Properties

Compound Name2-[(6-bromo-3-pyridinyl)oxy]propanenitrile
PubChem CID107396751
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name2-[(6-bromo-3-pyridinyl)oxy]propanenitrile
SMILESCC(C#N)Oc1ccc(Br)nc1
InChIInChI=1S/C8H7BrN2O/c1-6(4-10)12-7-2-3-8(9)11-5-7/h2-3,5-6H,1H3
InChIKeyFEBYBKXLNMFILA-UHFFFAOYSA-N
XLogP2.13
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.13
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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Related Compounds

(2S)-2-[(6-bromo-3-pyridinyl)oxy]propanoic acid
CID 138717997
2-bromo-5-(1,2,2-trifluoroethoxy)pyridine
CID 175422672
2-[4-(4-methylphenyl)phenoxy]propanenitrile
CID 22688508
2-quinolin-3-yloxypropanenitrile
CID 107388161
2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide
CID 107396753
2-(3-bromo-4-fluorophenoxy)propanenitrile
CID 83233217
2-(4-bromo-3-methoxyphenoxy)propanenitrile
CID 22688549
2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine
CID 166831306
2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide
CID 107396697
2-(3,4-difluorophenoxy)propanenitrile
CID 60666917
2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 107396677
2-[(6-bromo-3-pyridinyl)oxy]ethanol
CID 86643980

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-3-pyridinyl)oxy]propanenitrile?
The IUPAC name of 2-[(6-bromo-3-pyridinyl)oxy]propanenitrile (CID 107396751) is 2-[(6-bromo-3-pyridinyl)oxy]propanenitrile.
What is the SMILES notation for 2-[(6-bromo-3-pyridinyl)oxy]propanenitrile?
The canonical SMILES for 2-[(6-bromo-3-pyridinyl)oxy]propanenitrile is CC(C#N)Oc1ccc(Br)nc1.
What is the InChIKey of 2-[(6-bromo-3-pyridinyl)oxy]propanenitrile?
The InChIKey is FEBYBKXLNMFILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-6(4-10)12-7-2-3-8(9)11-5-7/h2-3,5-6H,1H3.
What are the key properties of 2-[(6-bromo-3-pyridinyl)oxy]propanenitrile?
2-[(6-bromo-3-pyridinyl)oxy]propanenitrile has a molecular weight of 227.06 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-3-pyridinyl)oxy]propanenitrile is sourced from PubChem (CID 107396751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).