4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine

C15H15ClFNO2 — CID 105383838

IUPAC4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine
SMILESCOCCc1ccc(Oc2nccc(CCl)c2F)cc1
InChIInChI=1S/C15H15ClFNO2/c1-19-9-7-11-2-4-13(5-3-11)20-15-14(17)12(10-16)6-8-18-15/h2-6,8H,7,9-10H2,1H3
InChIKeyCCFFUAAAPKDBMS-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.94
Rot. Bonds6

About 4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine

4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine (PubChem CID 105383838) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine
PubChem CID105383838
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine
SMILESCOCCc1ccc(Oc2nccc(CCl)c2F)cc1
InChIInChI=1S/C15H15ClFNO2/c1-19-9-7-11-2-4-13(5-3-11)20-15-14(17)12(10-16)6-8-18-15/h2-6,8H,7,9-10H2,1H3
InChIKeyCCFFUAAAPKDBMS-UHFFFAOYSA-N
XLogP3.94
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.94
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-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 105379997
4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine
CID 105383893
2-[4-(2-methoxyethyl)phenoxy]pyridin-3-amine
CID 43352037
4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
CID 107087636
4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine
CID 105383825
4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747282
2-chloro-3-fluoro-4-(2-methoxyethyl)pyridine
CID 171815314
2-[[4-(chloromethyl)-3-fluoro-2-pyridinyl]oxy]-N,N-dimethylethanamine
CID 105383808
N-butan-2-yl-4-(chloromethyl)-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383553
4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383537
4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine
CID 105383887
4-[4-(2-methoxyethyl)phenoxy]pyrimidin-5-amine
CID 79918869

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine?
The IUPAC name of 4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine (CID 105383838) is 4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine?
The canonical SMILES for 4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine is COCCc1ccc(Oc2nccc(CCl)c2F)cc1.
What is the InChIKey of 4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine?
The InChIKey is CCFFUAAAPKDBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-9-7-11-2-4-13(5-3-11)20-15-14(17)12(10-16)6-8-18-15/h2-6,8H,7,9-10H2,1H3.
What are the key properties of 4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine?
4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine has a molecular weight of 295.74 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine is sourced from PubChem (CID 105383838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).