2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine

C15H16BrNO — CID 79260684

IUPAC2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine
SMILESCc1ccc(OCc2cccc(C)n2)c(CBr)c1
InChIInChI=1S/C15H16BrNO/c1-11-6-7-15(13(8-11)9-16)18-10-14-5-3-4-12(2)17-14/h3-8H,9-10H2,1-2H3
InChIKeyUQIZJPKSCQFJRB-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.17
Rot. Bonds4

About 2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine

2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine (PubChem CID 79260684) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine
PubChem CID79260684
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine
SMILESCc1ccc(OCc2cccc(C)n2)c(CBr)c1
InChIInChI=1S/C15H16BrNO/c1-11-6-7-15(13(8-11)9-16)18-10-14-5-3-4-12(2)17-14/h3-8H,9-10H2,1-2H3
InChIKeyUQIZJPKSCQFJRB-UHFFFAOYSA-N
XLogP4.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.17
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

(1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 79267455
2-(bromomethyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79260859
potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 79263387
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
CID 79260511
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
1-[[2-(bromomethyl)-4-methylphenoxy]methyl]-3,5-dimethylbenzene
CID 63536416
1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267704
1-[2-[(6-methoxy-2-pyridinyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63985125
N-ethyl-1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 79262667
N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 79262649
(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 79268203

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine?
The IUPAC name of 2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine (CID 79260684) is 2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine.
What is the SMILES notation for 2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine?
The canonical SMILES for 2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine is Cc1ccc(OCc2cccc(C)n2)c(CBr)c1.
What is the InChIKey of 2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine?
The InChIKey is UQIZJPKSCQFJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-6-7-15(13(8-11)9-16)18-10-14-5-3-4-12(2)17-14/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine?
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine has a molecular weight of 306.20 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine is sourced from PubChem (CID 79260684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).