2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine

C15H15BrFNO3 — CID 107691675

IUPAC2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(COc2ccc(CBr)cc2F)c1OC
InChIInChI=1S/C15H15BrFNO3/c1-19-14-5-6-18-12(15(14)20-2)9-21-13-4-3-10(8-16)7-11(13)17/h3-7H,8-9H2,1-2H3
InChIKeyKACNJWKJWIMLDX-UHFFFAOYSA-N
MW356.19 g/mol
LogP3.71
Rot. Bonds6

About 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine

2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine (PubChem CID 107691675) has the molecular formula C15H15BrFNO3 and a molecular weight of 356.19 g/mol. Its IUPAC name is 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine.

Molecular Properties

Compound Name2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine
PubChem CID107691675
Molecular FormulaC15H15BrFNO3
Molecular Weight356.19 g/mol
Exact Mass355.02
IUPAC Name2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(COc2ccc(CBr)cc2F)c1OC
InChIInChI=1S/C15H15BrFNO3/c1-19-14-5-6-18-12(15(14)20-2)9-21-13-4-3-10(8-16)7-11(13)17/h3-7H,8-9H2,1-2H3
InChIKeyKACNJWKJWIMLDX-UHFFFAOYSA-N
XLogP3.71
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine
CID 103173388
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene
CID 107691893
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 107691588
2-[(3-fluorophenoxy)methyl]-3,4-dimethoxypyridine
CID 103174166
2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine
CID 79168710
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile
CID 103174663
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine
CID 103172064
[4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine
CID 103171956
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine?
The IUPAC name of 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine (CID 107691675) is 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine.
What is the SMILES notation for 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine?
The canonical SMILES for 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine is COc1ccnc(COc2ccc(CBr)cc2F)c1OC.
What is the InChIKey of 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine?
The InChIKey is KACNJWKJWIMLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO3/c1-19-14-5-6-18-12(15(14)20-2)9-21-13-4-3-10(8-16)7-11(13)17/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine?
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine has a molecular weight of 356.19 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine is sourced from PubChem (CID 107691675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).