3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine

C14H13BrFNO2 — CID 59548291

IUPAC3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine
SMILESCOc1ccc(COCc2cnc(F)c(Br)c2)cc1
InChIInChI=1S/C14H13BrFNO2/c1-18-12-4-2-10(3-5-12)8-19-9-11-6-13(15)14(16)17-7-11/h2-7H,8-9H2,1H3
InChIKeyQOHVOAHLCBSSCH-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.71
Rot. Bonds5

About 3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine

3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine (PubChem CID 59548291) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is 3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine.

Molecular Properties

Compound Name3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine
PubChem CID59548291
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine
SMILESCOc1ccc(COCc2cnc(F)c(Br)c2)cc1
InChIInChI=1S/C14H13BrFNO2/c1-18-12-4-2-10(3-5-12)8-19-9-11-6-13(15)14(16)17-7-11/h2-7H,8-9H2,1H3
InChIKeyQOHVOAHLCBSSCH-UHFFFAOYSA-N
XLogP3.71
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.71
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 3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine?
The IUPAC name of 3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine (CID 59548291) is 3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine.
What is the SMILES notation for 3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine?
The canonical SMILES for 3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine is COc1ccc(COCc2cnc(F)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine?
The InChIKey is QOHVOAHLCBSSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-18-12-4-2-10(3-5-12)8-19-9-11-6-13(15)14(16)17-7-11/h2-7H,8-9H2,1H3.
What are the key properties of 3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine?
3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine has a molecular weight of 326.17 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine is sourced from PubChem (CID 59548291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).