2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine

C14H18BrN3O — CID 79799473

IUPAC2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine
SMILESCCC(C)n1ccc(COc2ccc(CBr)nc2)n1
InChIInChI=1S/C14H18BrN3O/c1-3-11(2)18-7-6-13(17-18)10-19-14-5-4-12(8-15)16-9-14/h4-7,9,11H,3,8,10H2,1-2H3
InChIKeyAXKIWDANZGAUOC-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.72
Rot. Bonds6

About 2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine

2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine (PubChem CID 79799473) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine
PubChem CID79799473
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine
SMILESCCC(C)n1ccc(COc2ccc(CBr)nc2)n1
InChIInChI=1S/C14H18BrN3O/c1-3-11(2)18-7-6-13(17-18)10-19-14-5-4-12(8-15)16-9-14/h4-7,9,11H,3,8,10H2,1-2H3
InChIKeyAXKIWDANZGAUOC-UHFFFAOYSA-N
XLogP3.72
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromophenoxy)methyl]-1-butan-2-ylpyrazole
CID 64801510
1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 64783982
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]-trifluoroboranuide
CID 113240237
1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole
CID 107171387
1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
CID 64779517
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzaldehyde
CID 64800173
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid
CID 83136882
2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile
CID 79799481
[3,5-dibromo-4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 107741450
[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-5-fluorophenyl]boronic acid
CID 81313801
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol
CID 64783416
[3-bromo-4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800018

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine?
The IUPAC name of 2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine (CID 79799473) is 2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine.
What is the SMILES notation for 2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine?
The canonical SMILES for 2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine is CCC(C)n1ccc(COc2ccc(CBr)nc2)n1.
What is the InChIKey of 2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine?
The InChIKey is AXKIWDANZGAUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-11(2)18-7-6-13(17-18)10-19-14-5-4-12(8-15)16-9-14/h4-7,9,11H,3,8,10H2,1-2H3.
What are the key properties of 2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine?
2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine has a molecular weight of 324.22 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine is sourced from PubChem (CID 79799473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).