5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine

C14H14BrNO — CID 107086693

IUPAC5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine
SMILESCc1ccc(Oc2ccc(CBr)cn2)c(C)c1
InChIInChI=1S/C14H14BrNO/c1-10-3-5-13(11(2)7-10)17-14-6-4-12(8-15)9-16-14/h3-7,9H,8H2,1-2H3
InChIKeyQOACQQSFEKLXEL-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.39
Rot. Bonds3

About 5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine

5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine (PubChem CID 107086693) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine
PubChem CID107086693
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine
SMILESCc1ccc(Oc2ccc(CBr)cn2)c(C)c1
InChIInChI=1S/C14H14BrNO/c1-10-3-5-13(11(2)7-10)17-14-6-4-12(8-15)9-16-14/h3-7,9H,8H2,1-2H3
InChIKeyQOACQQSFEKLXEL-UHFFFAOYSA-N
XLogP4.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.39
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-(2,3,5-trimethylphenoxy)pyridine
CID 107087446
1-[6-(2,4-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058595
[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol
CID 62672212
5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine
CID 107087885
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63216590
5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 107086855
2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine
CID 67952588
1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62323119
1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640067
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63216591
1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80639510
2-[6-(2,4-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640333

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine?
The IUPAC name of 5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine (CID 107086693) is 5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine?
The canonical SMILES for 5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine is Cc1ccc(Oc2ccc(CBr)cn2)c(C)c1.
What is the InChIKey of 5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine?
The InChIKey is QOACQQSFEKLXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10-3-5-13(11(2)7-10)17-14-6-4-12(8-15)9-16-14/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine?
5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine has a molecular weight of 292.18 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine is sourced from PubChem (CID 107086693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).