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

C15H15ClFNO3 — CID 103173387

IUPAC2-[[3-(chloromethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(COc2cc(F)cc(CCl)c2)c1OC
InChIInChI=1S/C15H15ClFNO3/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
InChIKeyYJPJMQDNYAHTEP-UHFFFAOYSA-N
MW311.74 g/mol
LogP3.56
Rot. Bonds6

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

2-[[3-(chloromethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine (PubChem CID 103173387) has the molecular formula C15H15ClFNO3 and a molecular weight of 311.74 g/mol. Its IUPAC name is 2-[[3-(chloromethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine.

Molecular Properties

Compound Name2-[[3-(chloromethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine
PubChem CID103173387
Molecular FormulaC15H15ClFNO3
Molecular Weight311.74 g/mol
Exact Mass311.07
IUPAC Name2-[[3-(chloromethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(COc2cc(F)cc(CCl)c2)c1OC
InChIInChI=1S/C15H15ClFNO3/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
InChIKeyYJPJMQDNYAHTEP-UHFFFAOYSA-N
XLogP3.56
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(chloromethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine?
The IUPAC name of 2-[[3-(chloromethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine (CID 103173387) is 2-[[3-(chloromethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine.
What is the SMILES notation for 2-[[3-(chloromethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine?
The canonical SMILES for 2-[[3-(chloromethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine is COc1ccnc(COc2cc(F)cc(CCl)c2)c1OC.
What is the InChIKey of 2-[[3-(chloromethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine?
The InChIKey is YJPJMQDNYAHTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3/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-(chloromethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine?
2-[[3-(chloromethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine has a molecular weight of 311.74 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(chloromethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine is sourced from PubChem (CID 103173387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).