3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine

C14H14BrNO2 — CID 43324725

IUPAC3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
SMILESCOc1cc(CBr)ccc1OCc1cccnc1
InChIInChI=1S/C14H14BrNO2/c1-17-14-7-11(8-15)4-5-13(14)18-10-12-3-2-6-16-9-12/h2-7,9H,8,10H2,1H3
InChIKeyMOKVHXYYUNKWGD-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.56
Rot. Bonds5

About 3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine

3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine (PubChem CID 43324725) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
PubChem CID43324725
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
SMILESCOc1cc(CBr)ccc1OCc1cccnc1
InChIInChI=1S/C14H14BrNO2/c1-17-14-7-11(8-15)4-5-13(14)18-10-12-3-2-6-16-9-12/h2-7,9H,8,10H2,1H3
InChIKeyMOKVHXYYUNKWGD-UHFFFAOYSA-N
XLogP3.56
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
CID 43622762
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine
CID 62699007
3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 63320237
4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene
CID 43324722
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 38934198
4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
CID 43141748
N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 24706507
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997353

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine?
The IUPAC name of 3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine (CID 43324725) is 3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine.
What is the SMILES notation for 3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine?
The canonical SMILES for 3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine is COc1cc(CBr)ccc1OCc1cccnc1.
What is the InChIKey of 3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine?
The InChIKey is MOKVHXYYUNKWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-17-14-7-11(8-15)4-5-13(14)18-10-12-3-2-6-16-9-12/h2-7,9H,8,10H2,1H3.
What are the key properties of 3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine?
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine has a molecular weight of 308.18 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine is sourced from PubChem (CID 43324725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).