4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine

C13H11BrClNO2 — CID 104704629

IUPAC4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine
SMILESCOc1ccc(OCc2ccnc(Cl)c2)c(Br)c1
InChIInChI=1S/C13H11BrClNO2/c1-17-10-2-3-12(11(14)7-10)18-8-9-4-5-16-13(15)6-9/h2-7H,8H2,1H3
InChIKeyXMAKQNMCMNFLGA-UHFFFAOYSA-N
MW328.59 g/mol
LogP4.09
Rot. Bonds4

About 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine

4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine (PubChem CID 104704629) has the molecular formula C13H11BrClNO2 and a molecular weight of 328.59 g/mol. Its IUPAC name is 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine.

Molecular Properties

Compound Name4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine
PubChem CID104704629
Molecular FormulaC13H11BrClNO2
Molecular Weight328.59 g/mol
Exact Mass326.97
IUPAC Name4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine
SMILESCOc1ccc(OCc2ccnc(Cl)c2)c(Br)c1
InChIInChI=1S/C13H11BrClNO2/c1-17-10-2-3-12(11(14)7-10)18-8-9-4-5-16-13(15)6-9/h2-7H,8H2,1H3
InChIKeyXMAKQNMCMNFLGA-UHFFFAOYSA-N
XLogP4.09
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(2-bromo-4-methoxyphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136869301
2-chloro-4-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 113341586
3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine
CID 106994652
4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine
CID 81495867
4-[(4-bromo-2-fluorophenoxy)methyl]-2-chloropyridine
CID 55069584
5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene
CID 104707269
2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine
CID 63480612
4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine
CID 104707451
3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine
CID 114084375
4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline
CID 141490423
2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine
CID 91230808
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine?
The IUPAC name of 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine (CID 104704629) is 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine.
What is the SMILES notation for 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine?
The canonical SMILES for 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine is COc1ccc(OCc2ccnc(Cl)c2)c(Br)c1.
What is the InChIKey of 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine?
The InChIKey is XMAKQNMCMNFLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2/c1-17-10-2-3-12(11(14)7-10)18-8-9-4-5-16-13(15)6-9/h2-7H,8H2,1H3.
What are the key properties of 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine?
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine has a molecular weight of 328.59 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine is sourced from PubChem (CID 104704629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).