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

C13H11BrFNO2 — CID 62047655

IUPAC2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine
SMILESCOc1ccc(COc2cccnc2Br)cc1F
InChIInChI=1S/C13H11BrFNO2/c1-17-11-5-4-9(7-10(11)15)8-18-12-3-2-6-16-13(12)14/h2-7H,8H2,1H3
InChIKeyFLLRYOYLVQWKMR-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.57
Rot. Bonds4

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

2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine (PubChem CID 62047655) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine
PubChem CID62047655
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine
SMILESCOc1ccc(COc2cccnc2Br)cc1F
InChIInChI=1S/C13H11BrFNO2/c1-17-11-5-4-9(7-10(11)15)8-18-12-3-2-6-16-13(12)14/h2-7H,8H2,1H3
InChIKeyFLLRYOYLVQWKMR-UHFFFAOYSA-N
XLogP3.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.57
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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Related Compounds

4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene
CID 43089834
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
2-fluoro-1-methoxy-4-[(3-methylphenoxy)methyl]benzene
CID 60627922
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine
CID 79168710
2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60905993
2-bromo-3-[(5-chloro-2-fluorophenyl)methoxy]pyridine
CID 103695175
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349
3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine?
The IUPAC name of 2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine (CID 62047655) is 2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine.
What is the SMILES notation for 2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine?
The canonical SMILES for 2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine is COc1ccc(COc2cccnc2Br)cc1F.
What is the InChIKey of 2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine?
The InChIKey is FLLRYOYLVQWKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-17-11-5-4-9(7-10(11)15)8-18-12-3-2-6-16-13(12)14/h2-7H,8H2,1H3.
What are the key properties of 2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine?
2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine has a molecular weight of 312.14 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine is sourced from PubChem (CID 62047655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).