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

C15H16BrNO — CID 107087446

IUPAC5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine
SMILESCc1cc(C)c(C)c(Oc2ccc(CBr)cn2)c1
InChIInChI=1S/C15H16BrNO/c1-10-6-11(2)12(3)14(7-10)18-15-5-4-13(8-16)9-17-15/h4-7,9H,8H2,1-3H3
InChIKeyQFTVCNLKHMAMJY-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.69
Rot. Bonds3

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

5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine (PubChem CID 107087446) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine
PubChem CID107087446
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine
SMILESCc1cc(C)c(C)c(Oc2ccc(CBr)cn2)c1
InChIInChI=1S/C15H16BrNO/c1-10-6-11(2)12(3)14(7-10)18-15-5-4-13(8-16)9-17-15/h4-7,9H,8H2,1-3H3
InChIKeyQFTVCNLKHMAMJY-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

5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 107086693
N-[[6-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62323095
6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid
CID 28933532
6-(2,3,5-trimethylphenoxy)pyridine-3-carbothioamide
CID 28933737
5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine
CID 107087885
3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine
CID 114057025
5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 107086855
1-[6-(2,4-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058595
1-[4-(bromomethyl)-3-methylphenoxy]-2,3,5-trimethylbenzene
CID 107087431
[5-chloro-6-(2,3,5-trimethylphenoxy)-3-pyridinyl]methanol
CID 61256314
5-(bromomethyl)-2-propan-2-yloxypyridine
CID 130153198
[4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 20986827

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine?
The IUPAC name of 5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine (CID 107087446) is 5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine?
The canonical SMILES for 5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine is Cc1cc(C)c(C)c(Oc2ccc(CBr)cn2)c1.
What is the InChIKey of 5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine?
The InChIKey is QFTVCNLKHMAMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-6-11(2)12(3)14(7-10)18-15-5-4-13(8-16)9-17-15/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine?
5-(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 5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine is sourced from PubChem (CID 107087446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).