3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine

C14H12Br2FNO — CID 79705713

IUPAC3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine
SMILESCc1ccc(OCc2cc(F)cc(Br)c2)c(CBr)n1
InChIInChI=1S/C14H12Br2FNO/c1-9-2-3-14(13(7-15)18-9)19-8-10-4-11(16)6-12(17)5-10/h2-6H,7-8H2,1H3
InChIKeyAETSGGCSPUITGQ-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.77
Rot. Bonds4

About 3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine

3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine (PubChem CID 79705713) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is 3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine.

Molecular Properties

Compound Name3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine
PubChem CID79705713
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine
SMILESCc1ccc(OCc2cc(F)cc(Br)c2)c(CBr)n1
InChIInChI=1S/C14H12Br2FNO/c1-9-2-3-14(13(7-15)18-9)19-8-10-4-11(16)6-12(17)5-10/h2-6H,7-8H2,1H3
InChIKeyAETSGGCSPUITGQ-UHFFFAOYSA-N
XLogP4.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(3-bromo-5-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79710901
2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine
CID 105404335
2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine
CID 79168710
2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine
CID 79168878
2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine
CID 79169382
2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine
CID 79169212
[2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylphenyl]methanol
CID 79706071
1-[3-bromo-4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 79704143
[3-[(3-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79158554
5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarbothioamide
CID 83145817
2-(bromomethyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79260859
3-[(3-bromo-5-fluorophenyl)methoxy]-4-methylaniline
CID 79704583

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine?
The IUPAC name of 3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine (CID 79705713) is 3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine.
What is the SMILES notation for 3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine?
The canonical SMILES for 3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine is Cc1ccc(OCc2cc(F)cc(Br)c2)c(CBr)n1.
What is the InChIKey of 3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine?
The InChIKey is AETSGGCSPUITGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c1-9-2-3-14(13(7-15)18-9)19-8-10-4-11(16)6-12(17)5-10/h2-6H,7-8H2,1H3.
What are the key properties of 3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine?
3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine has a molecular weight of 389.06 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine is sourced from PubChem (CID 79705713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).