3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine

C15H16BrNO — CID 114057025

IUPAC3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine
SMILESCc1cc(C)c(C)c(Oc2ncccc2CBr)c1
InChIInChI=1S/C15H16BrNO/c1-10-7-11(2)12(3)14(8-10)18-15-13(9-16)5-4-6-17-15/h4-8H,9H2,1-3H3
InChIKeyIXAHFGKEACDDMI-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.69
Rot. Bonds3

About 3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine

3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine (PubChem CID 114057025) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine
PubChem CID114057025
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine
SMILESCc1cc(C)c(C)c(Oc2ncccc2CBr)c1
InChIInChI=1S/C15H16BrNO/c1-10-7-11(2)12(3)14(8-10)18-15-13(9-16)5-4-6-17-15/h4-8H,9H2,1-3H3
InChIKeyIXAHFGKEACDDMI-UHFFFAOYSA-N
XLogP4.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.69
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-[4-(bromomethyl)-3-methylphenoxy]-2,3,5-trimethylbenzene
CID 107087431
2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine
CID 62471218
[3-fluoro-2-(2,3,5-trimethylphenoxy)-4-pyridinyl]methanol
CID 105383279
5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine
CID 107087446
3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid
CID 55107953
3-(bromomethyl)-2-(2-methyl-6-nitrophenoxy)pyridine
CID 114057069
N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296784
[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
CID 43528676
[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854594
3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894235
2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine
CID 114057591
N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine
CID 62297762

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine?
The IUPAC name of 3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine (CID 114057025) is 3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine?
The canonical SMILES for 3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine is Cc1cc(C)c(C)c(Oc2ncccc2CBr)c1.
What is the InChIKey of 3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine?
The InChIKey is IXAHFGKEACDDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-7-11(2)12(3)14(8-10)18-15-13(9-16)5-4-6-17-15/h4-8H,9H2,1-3H3.
What are the key properties of 3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine?
3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine has a molecular weight of 306.20 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine is sourced from PubChem (CID 114057025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).