6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine

C14H13BrFNO — CID 135206260

IUPAC6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine
SMILESCc1nc(Br)ccc1OCCc1ccc(F)cc1
InChIInChI=1S/C14H13BrFNO/c1-10-13(6-7-14(15)17-10)18-9-8-11-2-4-12(16)5-3-11/h2-7H,8-9H2,1H3
InChIKeyIDIKFLHRNXCVKI-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.91
Rot. Bonds4

About 6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine

6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine (PubChem CID 135206260) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine.

Molecular Properties

Compound Name6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine
PubChem CID135206260
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine
SMILESCc1nc(Br)ccc1OCCc1ccc(F)cc1
InChIInChI=1S/C14H13BrFNO/c1-10-13(6-7-14(15)17-10)18-9-8-11-2-4-12(16)5-3-11/h2-7H,8-9H2,1H3
InChIKeyIDIKFLHRNXCVKI-UHFFFAOYSA-N
XLogP3.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine?
The IUPAC name of 6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine (CID 135206260) is 6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine.
What is the SMILES notation for 6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine?
The canonical SMILES for 6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine is Cc1nc(Br)ccc1OCCc1ccc(F)cc1.
What is the InChIKey of 6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine?
The InChIKey is IDIKFLHRNXCVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-10-13(6-7-14(15)17-10)18-9-8-11-2-4-12(16)5-3-11/h2-7H,8-9H2,1H3.
What are the key properties of 6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine?
6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine has a molecular weight of 310.17 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine is sourced from PubChem (CID 135206260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).