2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine

C12H12BrNOS — CID 65101747

IUPAC2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine
SMILESCCc1ccc(COc2cccnc2Br)s1
InChIInChI=1S/C12H12BrNOS/c1-2-9-5-6-10(16-9)8-15-11-4-3-7-14-12(11)13/h3-7H,2,8H2,1H3
InChIKeyROROXGZZJPMSNK-UHFFFAOYSA-N
MW298.20 g/mol
LogP4.05
Rot. Bonds4

About 2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine

2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine (PubChem CID 65101747) has the molecular formula C12H12BrNOS and a molecular weight of 298.20 g/mol. Its IUPAC name is 2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine.

Molecular Properties

Compound Name2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine
PubChem CID65101747
Molecular FormulaC12H12BrNOS
Molecular Weight298.20 g/mol
Exact Mass296.98
IUPAC Name2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine
SMILESCCc1ccc(COc2cccnc2Br)s1
InChIInChI=1S/C12H12BrNOS/c1-2-9-5-6-10(16-9)8-15-11-4-3-7-14-12(11)13/h3-7H,2,8H2,1H3
InChIKeyROROXGZZJPMSNK-UHFFFAOYSA-N
XLogP4.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 54.05
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine?
The IUPAC name of 2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine (CID 65101747) is 2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine.
What is the SMILES notation for 2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine?
The canonical SMILES for 2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine is CCc1ccc(COc2cccnc2Br)s1.
What is the InChIKey of 2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine?
The InChIKey is ROROXGZZJPMSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-2-9-5-6-10(16-9)8-15-11-4-3-7-14-12(11)13/h3-7H,2,8H2,1H3.
What are the key properties of 2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine?
2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine has a molecular weight of 298.20 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[(5-ethylthiophen-2-yl)methoxy]pyridine is sourced from PubChem (CID 65101747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).