3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine

C15H15Br2NO — CID 114062657

IUPAC3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1Oc1ccc(CBr)cc1Br
InChIInChI=1S/C15H15Br2NO/c1-3-13-15(6-4-10(2)18-13)19-14-7-5-11(9-16)8-12(14)17/h4-8H,3,9H2,1-2H3
InChIKeyQFUASLNGBDXVHI-UHFFFAOYSA-N
MW385.10 g/mol
LogP5.40
Rot. Bonds4

About 3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine

3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine (PubChem CID 114062657) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine.

Molecular Properties

Compound Name3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine
PubChem CID114062657
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1Oc1ccc(CBr)cc1Br
InChIInChI=1S/C15H15Br2NO/c1-3-13-15(6-4-10(2)18-13)19-14-7-5-11(9-16)8-12(14)17/h4-8H,3,9H2,1-2H3
InChIKeyQFUASLNGBDXVHI-UHFFFAOYSA-N
XLogP5.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.10
LogP ≤ 55.40
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

(1R)-1-[3-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 103175174
5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine
CID 107089413
2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene
CID 114062644
2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine
CID 79169382
3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine
CID 103175217
[3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine
CID 82785114
5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine
CID 103174438
[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-methylphenyl]methanamine
CID 107926557
2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide
CID 107278448
[4-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]phenyl]methanol
CID 103175335
5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174838
2,4-dichloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,3,5-triazine
CID 103174578

Frequently Asked Questions

What is the IUPAC name of 3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine?
The IUPAC name of 3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine (CID 114062657) is 3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine.
What is the SMILES notation for 3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine?
The canonical SMILES for 3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine is CCc1nc(C)ccc1Oc1ccc(CBr)cc1Br.
What is the InChIKey of 3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine?
The InChIKey is QFUASLNGBDXVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-3-13-15(6-4-10(2)18-13)19-14-7-5-11(9-16)8-12(14)17/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine?
3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine has a molecular weight of 385.10 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine is sourced from PubChem (CID 114062657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).