2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile

C10H11BrN2O — CID 79799481

IUPAC2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile
SMILESCCC(C#N)Oc1ccc(CBr)nc1
InChIInChI=1S/C10H11BrN2O/c1-2-9(6-12)14-10-4-3-8(5-11)13-7-10/h3-4,7,9H,2,5H2,1H3
InChIKeyNNANTILRSAJOKK-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.66
Rot. Bonds4

About 2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile

2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile (PubChem CID 79799481) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile.

Molecular Properties

Compound Name2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile
PubChem CID79799481
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile
SMILESCCC(C#N)Oc1ccc(CBr)nc1
InChIInChI=1S/C10H11BrN2O/c1-2-9(6-12)14-10-4-3-8(5-11)13-7-10/h3-4,7,9H,2,5H2,1H3
InChIKeyNNANTILRSAJOKK-UHFFFAOYSA-N
XLogP2.66
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile
CID 79795412
2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine
CID 79799473
2-(bromomethyl)-5-octoxypyridine
CID 79799471
2-(bromomethyl)-5-decoxypyridine
CID 79799851
2-(bromomethyl)-5-[[6-(bromomethyl)-3-pyridinyl]oxy-methylphosphoryl]oxypyridine
CID 175489670
2-(bromomethyl)-5-(ethoxymethoxy)pyridine
CID 79800750
4-(1-cyanopropoxy)benzenesulfonyl chloride
CID 82917382
2-(3,5-dimethoxyphenoxy)butanenitrile
CID 55207727
2-[4-(2-hydroxypropyl)phenoxy]butanenitrile
CID 115495721
methyl 4-(1-cyanopropoxy)benzoate
CID 65019391
2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine
CID 79800580
2-[3-(aminomethyl)phenoxy]butanenitrile;hydrochloride
CID 54593305

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile?
The IUPAC name of 2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile (CID 79799481) is 2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile.
What is the SMILES notation for 2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile?
The canonical SMILES for 2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile is CCC(C#N)Oc1ccc(CBr)nc1.
What is the InChIKey of 2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile?
The InChIKey is NNANTILRSAJOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-2-9(6-12)14-10-4-3-8(5-11)13-7-10/h3-4,7,9H,2,5H2,1H3.
What are the key properties of 2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile?
2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile has a molecular weight of 255.11 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile is sourced from PubChem (CID 79799481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).