2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine

C14H13F2NO3 — CID 123762675

IUPAC2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine
SMILESCOCOc1c(F)cc(-c2cccc(OC)n2)cc1F
InChIInChI=1S/C14H13F2NO3/c1-18-8-20-14-10(15)6-9(7-11(14)16)12-4-3-5-13(17-12)19-2/h3-7H,8H2,1-2H3
InChIKeyIZVUOQHZTWKAEV-UHFFFAOYSA-N
MW281.26 g/mol
LogP3.02
Rot. Bonds5

About 2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine

2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine (PubChem CID 123762675) has the molecular formula C14H13F2NO3 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine
PubChem CID123762675
Molecular FormulaC14H13F2NO3
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine
SMILESCOCOc1c(F)cc(-c2cccc(OC)n2)cc1F
InChIInChI=1S/C14H13F2NO3/c1-18-8-20-14-10(15)6-9(7-11(14)16)12-4-3-5-13(17-12)19-2/h3-7H,8H2,1-2H3
InChIKeyIZVUOQHZTWKAEV-UHFFFAOYSA-N
XLogP3.02
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine?
The IUPAC name of 2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine (CID 123762675) is 2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine.
What is the SMILES notation for 2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine?
The canonical SMILES for 2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine is COCOc1c(F)cc(-c2cccc(OC)n2)cc1F.
What is the InChIKey of 2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine?
The InChIKey is IZVUOQHZTWKAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3/c1-18-8-20-14-10(15)6-9(7-11(14)16)12-4-3-5-13(17-12)19-2/h3-7H,8H2,1-2H3.
What are the key properties of 2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine?
2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine has a molecular weight of 281.26 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine is sourced from PubChem (CID 123762675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).