8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline

C21H15F2N3O — CID 135247003

IUPAC8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline
SMILESCC(F)(F)c1ccc(Oc2ncccc2-c2cccc3cccnc23)cn1
InChIInChI=1S/C21H15F2N3O/c1-21(22,23)18-10-9-15(13-26-18)27-20-17(8-4-12-25-20)16-7-2-5-14-6-3-11-24-19(14)16/h2-13H,1H3
InChIKeyOXEGNAMMXLXACV-UHFFFAOYSA-N
MW363.37 g/mol
LogP5.60
Rot. Bonds4

About 8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline

8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline (PubChem CID 135247003) has the molecular formula C21H15F2N3O and a molecular weight of 363.37 g/mol. Its IUPAC name is 8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline.

Molecular Properties

Compound Name8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline
PubChem CID135247003
Molecular FormulaC21H15F2N3O
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline
SMILESCC(F)(F)c1ccc(Oc2ncccc2-c2cccc3cccnc23)cn1
InChIInChI=1S/C21H15F2N3O/c1-21(22,23)18-10-9-15(13-26-18)27-20-17(8-4-12-25-20)16-7-2-5-14-6-3-11-24-19(14)16/h2-13H,1H3
InChIKeyOXEGNAMMXLXACV-UHFFFAOYSA-N
XLogP5.60
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.37
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline with MolForge

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Related Compounds

2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine
CID 135246688
N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline
CID 135235795
2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine
CID 135235764
5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
CID 135235911
5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine
CID 135246741
7-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyrazolo[1,5-a]pyridine
CID 135235659
5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine
CID 135246796
3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine
CID 135246966
3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
CID 135246990
(2-quinolin-8-ylphenyl) trifluoromethanesulfonate
CID 87290128
8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline
CID 126516375
8-(2,4-dimethoxypyrimidin-5-yl)quinoline
CID 39749827

Frequently Asked Questions

What is the IUPAC name of 8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline?
The IUPAC name of 8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline (CID 135247003) is 8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline.
What is the SMILES notation for 8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline?
The canonical SMILES for 8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline is CC(F)(F)c1ccc(Oc2ncccc2-c2cccc3cccnc23)cn1.
What is the InChIKey of 8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline?
The InChIKey is OXEGNAMMXLXACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O/c1-21(22,23)18-10-9-15(13-26-18)27-20-17(8-4-12-25-20)16-7-2-5-14-6-3-11-24-19(14)16/h2-13H,1H3.
What are the key properties of 8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline?
8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline has a molecular weight of 363.37 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline is sourced from PubChem (CID 135247003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).