2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine

C14H13Br2NO — CID 79169212

IUPAC2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine
SMILESCc1ccc(OCc2ccccc2Br)c(CBr)n1
InChIInChI=1S/C14H13Br2NO/c1-10-6-7-14(13(8-15)17-10)18-9-11-4-2-3-5-12(11)16/h2-7H,8-9H2,1H3
InChIKeyQBNAVJBTRRYIIN-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.63
Rot. Bonds4

About 2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine

2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine (PubChem CID 79169212) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine
PubChem CID79169212
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine
SMILESCc1ccc(OCc2ccccc2Br)c(CBr)n1
InChIInChI=1S/C14H13Br2NO/c1-10-6-7-14(13(8-15)17-10)18-9-11-4-2-3-5-12(11)16/h2-7H,8-9H2,1H3
InChIKeyQBNAVJBTRRYIIN-UHFFFAOYSA-N
XLogP4.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.63
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

2-(bromomethyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79260859
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-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
CID 107349923
2-(bromomethyl)-3-[(4-bromo-2-nitrophenyl)methoxy]-6-methylpyridine
CID 114381887
3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine
CID 79705713
2-(bromomethyl)-3-[(2-chloro-6-fluorophenyl)methoxy]-6-methylpyridine
CID 79168717
2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 112590230
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile
CID 79158871
2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine
CID 79168710
4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene
CID 43324658
2-(bromomethyl)-6-methyl-3-propan-2-yloxypyridine
CID 79169783

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine?
The IUPAC name of 2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine (CID 79169212) is 2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine.
What is the SMILES notation for 2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine?
The canonical SMILES for 2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine is Cc1ccc(OCc2ccccc2Br)c(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine?
The InChIKey is QBNAVJBTRRYIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-10-6-7-14(13(8-15)17-10)18-9-11-4-2-3-5-12(11)16/h2-7H,8-9H2,1H3.
What are the key properties of 2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine?
2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine has a molecular weight of 371.07 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine is sourced from PubChem (CID 79169212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).