2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine

C19H17F2N3O3 — CID 135235764

IUPAC2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine
SMILESCOCC(F)(F)c1ccc(Oc2ncccc2-c2cccnc2OC)cn1
InChIInChI=1S/C19H17F2N3O3/c1-25-12-19(20,21)16-8-7-13(11-24-16)27-18-15(6-4-10-23-18)14-5-3-9-22-17(14)26-2/h3-11H,12H2,1-2H3
InChIKeyDPLHOKIBFHQOKB-UHFFFAOYSA-N
MW373.36 g/mol
LogP4.08
Rot. Bonds7

About 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine

2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine (PubChem CID 135235764) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine
PubChem CID135235764
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine
SMILESCOCC(F)(F)c1ccc(Oc2ncccc2-c2cccnc2OC)cn1
InChIInChI=1S/C19H17F2N3O3/c1-25-12-19(20,21)16-8-7-13(11-24-16)27-18-15(6-4-10-23-18)14-5-3-9-22-17(14)26-2/h3-11H,12H2,1-2H3
InChIKeyDPLHOKIBFHQOKB-UHFFFAOYSA-N
XLogP4.08
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine with MolForge

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Launch Full Analysis

Related Compounds

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-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
CID 135235911
N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline
CID 135235795
8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline
CID 135247003
2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine
CID 135246688
3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine
CID 126714555
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
5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
CID 135235968
[2,2,2-trifluoro-1-[4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]ethyl] 4-methylbenzenesulfonate
CID 135235673
5-bromo-4-[[6-(1,1-difluoro-2-iodoethyl)-3-pyridinyl]oxy]pyrimidine
CID 140963801

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine?
The IUPAC name of 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine (CID 135235764) is 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine.
What is the SMILES notation for 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine?
The canonical SMILES for 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine is COCC(F)(F)c1ccc(Oc2ncccc2-c2cccnc2OC)cn1.
What is the InChIKey of 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine?
The InChIKey is DPLHOKIBFHQOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-25-12-19(20,21)16-8-7-13(11-24-16)27-18-15(6-4-10-23-18)14-5-3-9-22-17(14)26-2/h3-11H,12H2,1-2H3.
What are the key properties of 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine?
2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine has a molecular weight of 373.36 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine is sourced from PubChem (CID 135235764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).