2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone

C18H13F2N3O2 — CID 146796300

IUPAC2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone
SMILESCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cc(F)ccn2)n1
InChIInChI=1S/C18H13F2N3O2/c1-11-4-15(25-16-6-13(20)9-21-10-16)8-17(23-11)18(24)7-14-5-12(19)2-3-22-14/h2-6,8-10H,7H2,1H3
InChIKeyRWVBJRXVLZCWCF-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.68
Rot. Bonds5

About 2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone

2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone (PubChem CID 146796300) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is 2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone
PubChem CID146796300
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone
SMILESCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cc(F)ccn2)n1
InChIInChI=1S/C18H13F2N3O2/c1-11-4-15(25-16-6-13(20)9-21-10-16)8-17(23-11)18(24)7-14-5-12(19)2-3-22-14/h2-6,8-10H,7H2,1H3
InChIKeyRWVBJRXVLZCWCF-UHFFFAOYSA-N
XLogP3.68
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
2-PyridinecarboxaMide, N-(5-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-Methyl-
CID 60197821
N-(4-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197823
N-(6-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197825
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyridine-2-carboxamide
CID 60198048
4-(4-Fluorophenyl)-5-(pyridin-3-ylmethoxy)picolinamide
CID 122539668
4-(4-Fluorophenyl)-5-(((6-(trifluoromethyl)pyridin-3-yl)oxy)methyl)picolinamide
CID 122539705
4-(4-Fluorophenyl)-5-(2-((2-fluoropyridin-4-yl)oxy)ethoxy)picolinamide
CID 122539746
US11274108, Example 1-263
CID 126483952
2-Methylfuro(3,2-b)pyridine
CID 13580283
8-(2-Fluorophenyl)-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one
CID 134807375
8-(2-Fluorophenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one
CID 134808899

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone?
The IUPAC name of 2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone (CID 146796300) is 2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone.
What is the SMILES notation for 2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone?
The canonical SMILES for 2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone is Cc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cc(F)ccn2)n1.
What is the InChIKey of 2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone?
The InChIKey is RWVBJRXVLZCWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c1-11-4-15(25-16-6-13(20)9-21-10-16)8-17(23-11)18(24)7-14-5-12(19)2-3-22-14/h2-6,8-10H,7H2,1H3.
What are the key properties of 2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone?
2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone has a molecular weight of 341.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone is sourced from PubChem (CID 146796300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).