2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine

C13H14BrNOS — CID 79800580

IUPAC2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine
SMILESCCc1ccc(COc2ccc(CBr)nc2)s1
InChIInChI=1S/C13H14BrNOS/c1-2-12-5-6-13(17-12)9-16-11-4-3-10(7-14)15-8-11/h3-6,8H,2,7,9H2,1H3
InChIKeyVAEJEVXLUWVFGL-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.18
Rot. Bonds5

About 2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine

2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine (PubChem CID 79800580) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine
PubChem CID79800580
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine
SMILESCCc1ccc(COc2ccc(CBr)nc2)s1
InChIInChI=1S/C13H14BrNOS/c1-2-12-5-6-13(17-12)9-16-11-4-3-10(7-14)15-8-11/h3-6,8H,2,7,9H2,1H3
InChIKeyVAEJEVXLUWVFGL-UHFFFAOYSA-N
XLogP4.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.18
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-(bromomethyl)-5-[(5-bromothiophen-2-yl)methoxy]pyridine
CID 79800755
2-[5-[(5-ethylthiophen-2-yl)methoxy]-2-pyridinyl]ethanamine
CID 79800152
2-(bromomethyl)-5-(ethoxymethoxy)pyridine
CID 79800750
2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine
CID 79799847
2-(bromomethyl)-5-octoxypyridine
CID 79799471
2-(bromomethyl)-5-decoxypyridine
CID 79799851
4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole
CID 116793938
2-[[6-(bromomethyl)-3-pyridinyl]oxymethyl]-1,3-benzothiazole
CID 104631389
5-[(5-bromothiophen-2-yl)methoxy]-2-fluoropyridine
CID 115371625
2-(bromomethyl)-5-[(2-methoxyphenyl)methoxy]pyridine
CID 79799388
2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine
CID 79799473
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine
CID 79799948

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine?
The IUPAC name of 2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine (CID 79800580) is 2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine.
What is the SMILES notation for 2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine?
The canonical SMILES for 2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine is CCc1ccc(COc2ccc(CBr)nc2)s1.
What is the InChIKey of 2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine?
The InChIKey is VAEJEVXLUWVFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-2-12-5-6-13(17-12)9-16-11-4-3-10(7-14)15-8-11/h3-6,8H,2,7,9H2,1H3.
What are the key properties of 2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine?
2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine has a molecular weight of 312.23 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine is sourced from PubChem (CID 79800580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).