4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine

C10H7Br2NOS — CID 132537424

IUPAC4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine
SMILESBrc1cc(OCc2ccncc2)c(Br)s1
InChIInChI=1S/C10H7Br2NOS/c11-9-5-8(10(12)15-9)14-6-7-1-3-13-4-2-7/h1-5H,6H2
InChIKeyFEEGBGCFTKGMRT-UHFFFAOYSA-N
MW349.05 g/mol
LogP4.25
Rot. Bonds3

About 4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine

4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine (PubChem CID 132537424) has the molecular formula C10H7Br2NOS and a molecular weight of 349.05 g/mol. Its IUPAC name is 4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine.

Molecular Properties

Compound Name4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine
PubChem CID132537424
Molecular FormulaC10H7Br2NOS
Molecular Weight349.05 g/mol
Exact Mass346.86
IUPAC Name4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine
SMILESBrc1cc(OCc2ccncc2)c(Br)s1
InChIInChI=1S/C10H7Br2NOS/c11-9-5-8(10(12)15-9)14-6-7-1-3-13-4-2-7/h1-5H,6H2
InChIKeyFEEGBGCFTKGMRT-UHFFFAOYSA-N
XLogP4.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.05
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine?
The IUPAC name of 4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine (CID 132537424) is 4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine.
What is the SMILES notation for 4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine?
The canonical SMILES for 4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine is Brc1cc(OCc2ccncc2)c(Br)s1.
What is the InChIKey of 4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine?
The InChIKey is FEEGBGCFTKGMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2NOS/c11-9-5-8(10(12)15-9)14-6-7-1-3-13-4-2-7/h1-5H,6H2.
What are the key properties of 4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine?
4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine has a molecular weight of 349.05 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine is sourced from PubChem (CID 132537424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).