2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine

C112H94F11N13O11 — CID 158443392

IUPAC2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine
SMILESCCc1ccc(Oc2ncccc2-c2cncnc2OC)cc1.COc1ccncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1.COc1ccncc1-c1cccnc1Oc1ccc(C(F)F)c(C)c1.COc1ccncc1-c1cccnc1Oc1ccc(C(F)F)cc1.COc1ncccc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1.Cc1ccncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1F
InChIInChI=1S/C19H15F3N2O.3C19H16F2N2O2.C18H14F2N2O2.C18H17N3O2/c1-12-7-9-23-11-15(12)14-4-3-8-24-18(14)25-17-6-5-13(10-16(17)20)19(2,21)22;1-19(20,21)13-7-9-14(10-8-13)25-18-16(6-4-12-23-18)15-5-3-11-22-17(15)24-2;1-19(20,21)13-5-7-14(8-6-13)25-18-15(4-3-10-23-18)16-12-22-11-9-17(16)24-2;1-12-10-13(5-6-14(12)18(20)21)25-19-15(4-3-8-23-19)16-11-22-9-7-17(16)24-2;1-23-16-8-10-21-11-15(16)14-3-2-9-22-18(14)24-13-6-4-12(5-7-13)17(19)20;1-3-13-6-8-14(9-7-13)23-18-15(5-4-10-20-18)16-11-19-12-21-17(16)22-2/h3-11H,1-2H3;2*3-12H,1-2H3;3-11,18H,1-2H3;2-11,17H,1H3;4-12H,3H2,1-2H3
InChIKeyHDCAHIXYDLAAHW-UHFFFAOYSA-N
MW2007.04 g/mol
LogP29.58
Rot. Bonds29

About 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine

2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine (PubChem CID 158443392) has the molecular formula C112H94F11N13O11 and a molecular weight of 2007.04 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine
PubChem CID158443392
Molecular FormulaC112H94F11N13O11
Molecular Weight2007.04 g/mol
Exact Mass2005.70
IUPAC Name2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine
SMILESCCc1ccc(Oc2ncccc2-c2cncnc2OC)cc1.COc1ccncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1.COc1ccncc1-c1cccnc1Oc1ccc(C(F)F)c(C)c1.COc1ccncc1-c1cccnc1Oc1ccc(C(F)F)cc1.COc1ncccc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1.Cc1ccncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1F
InChIInChI=1S/C19H15F3N2O.3C19H16F2N2O2.C18H14F2N2O2.C18H17N3O2/c1-12-7-9-23-11-15(12)14-4-3-8-24-18(14)25-17-6-5-13(10-16(17)20)19(2,21)22;1-19(20,21)13-7-9-14(10-8-13)25-18-16(6-4-12-23-18)15-5-3-11-22-17(15)24-2;1-19(20,21)13-5-7-14(8-6-13)25-18-15(4-3-10-23-18)16-12-22-11-9-17(16)24-2;1-12-10-13(5-6-14(12)18(20)21)25-19-15(4-3-8-23-19)16-11-22-9-7-17(16)24-2;1-23-16-8-10-21-11-15(16)14-3-2-9-22-18(14)24-13-6-4-12(5-7-13)17(19)20;1-3-13-6-8-14(9-7-13)23-18-15(5-4-10-20-18)16-11-19-12-21-17(16)22-2/h3-11H,1-2H3;2*3-12H,1-2H3;3-11,18H,1-2H3;2-11,17H,1H3;4-12H,3H2,1-2H3
InChIKeyHDCAHIXYDLAAHW-UHFFFAOYSA-N
XLogP29.58
TPSA269.10 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002007.04
LogP ≤ 529.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine with MolForge

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Related Compounds

7-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyisoquinoline
CID 11258936
5-(4-Benzyloxy-2,3-difluorophenyl)-2-(6-dodecyloxypyridin-3-yl)pyrimidine
CID 17869403
2-[4-[[2,6-Difluoro-4-(6-phenylmethoxy-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 44608363
7-[6-[4-[1-(4-Fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyisoquinoline
CID 57600058
3-[4-[5-(2-Fluoro-4-pyridinyl)-2-methoxypyrimidin-4-yl]oxyphenyl]-5-methylpyridin-2-amine
CID 67425699
5-Fluoro-2-phenylmethoxy-4-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]ethoxy]pyrimidine
CID 67960095
5-Fluoro-4-[2-[3-fluoro-4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]ethoxy]-2-phenylmethoxypyrimidine
CID 67960111
5-Fluoro-4-[2-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-yl]ethoxy]-2-phenylmethoxypyrimidine
CID 67966693
2-[4-[[4-(6-Butoxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 68259101
6-[6-[4-[2-(4-Fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyisoquinoline
CID 69562958
4,6-Bis(2,4-difluoro-3-hexoxy-5-pyridin-2-ylphenyl)pyrimidine
CID 102333922
2-Chloro-4-[[5-fluoro-6-[4-methyl-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methoxy]pyrimidine
CID 123509001

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine?
The IUPAC name of 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine (CID 158443392) is 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine is CCc1ccc(Oc2ncccc2-c2cncnc2OC)cc1.COc1ccncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1.COc1ccncc1-c1cccnc1Oc1ccc(C(F)F)c(C)c1.COc1ccncc1-c1cccnc1Oc1ccc(C(F)F)cc1.COc1ncccc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1.Cc1ccncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1F.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine?
The InChIKey is HDCAHIXYDLAAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O.3C19H16F2N2O2.C18H14F2N2O2.C18H17N3O2/c1-12-7-9-23-11-15(12)14-4-3-8-24-18(14)25-17-6-5-13(10-16(17)20)19(2,21)22;1-19(20,21)13-7-9-14(10-8-13)25-18-16(6-4-12-23-18)15-5-3-11-22-17(15)24-2;1-19(20,21)13-5-7-14(8-6-13)25-18-15(4-3-10-23-18)16-12-22-11-9-17(16)24-2;1-12-10-13(5-6-14(12)18(20)21)25-19-15(4-3-8-23-19)16-11-22-9-7-17(16)24-2;1-23-16-8-10-21-11-15(16)14-3-2-9-22-18(14)24-13-6-4-12(5-7-13)17(19)20;1-3-13-6-8-14(9-7-13)23-18-15(5-4-10-20-18)16-11-19-12-21-17(16)22-2/h3-11H,1-2H3;2*3-12H,1-2H3;3-11,18H,1-2H3;2-11,17H,1H3;4-12H,3H2,1-2H3.
What are the key properties of 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine?
2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine has a molecular weight of 2007.04 g/mol, XLogP of 29.58, 29 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine;2-[4-(1,1-difluoroethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)-3-methylphenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;2-[4-(difluoromethyl)phenoxy]-3-(4-methoxy-3-pyridinyl)pyridine;5-[2-(4-ethylphenoxy)-3-pyridinyl]-4-methoxypyrimidine is sourced from PubChem (CID 158443392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).