2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine

C15H15BrFNO3 — CID 103173388

IUPAC2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(COc2cc(F)cc(CBr)c2)c1OC
InChIInChI=1S/C15H15BrFNO3/c1-19-14-3-4-18-13(15(14)20-2)9-21-12-6-10(8-16)5-11(17)7-12/h3-7H,8-9H2,1-2H3
InChIKeyBPRRRDZAOPVOBP-UHFFFAOYSA-N
MW356.19 g/mol
LogP3.71
Rot. Bonds6

About 2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine

2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine (PubChem CID 103173388) has the molecular formula C15H15BrFNO3 and a molecular weight of 356.19 g/mol. Its IUPAC name is 2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine.

Molecular Properties

Compound Name2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine
PubChem CID103173388
Molecular FormulaC15H15BrFNO3
Molecular Weight356.19 g/mol
Exact Mass355.02
IUPAC Name2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(COc2cc(F)cc(CBr)c2)c1OC
InChIInChI=1S/C15H15BrFNO3/c1-19-14-3-4-18-13(15(14)20-2)9-21-12-6-10(8-16)5-11(17)7-12/h3-7H,8-9H2,1-2H3
InChIKeyBPRRRDZAOPVOBP-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'}

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Related Compounds

2-[(3-fluorophenoxy)methyl]-3,4-dimethoxypyridine
CID 103174166
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine
CID 107691675
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171961
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile
CID 103174663
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline
CID 103172567
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline
CID 103171992
2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline
CID 103172686
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine
CID 103172064
4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171993

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine?
The IUPAC name of 2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine (CID 103173388) is 2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine.
What is the SMILES notation for 2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine?
The canonical SMILES for 2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine is COc1ccnc(COc2cc(F)cc(CBr)c2)c1OC.
What is the InChIKey of 2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine?
The InChIKey is BPRRRDZAOPVOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO3/c1-19-14-3-4-18-13(15(14)20-2)9-21-12-6-10(8-16)5-11(17)7-12/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine?
2-[[3-(bromomethyl)-5-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-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine is sourced from PubChem (CID 103173388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).