2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one

C83H87Cl4F3N6O16 — CID 161079461

IUPAC2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one
SMILESCC(=O)C(C)Oc1ccc(Oc2ncc(C)cc2C(F)(F)F)cc1.CC(=O)OCC(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1.CCC(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1.CCOC(=O)C(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1.CNC(=O)C(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1
InChIInChI=1S/2C17H18ClNO4.C17H16F3NO3.C16H17ClN2O3.C16H18ClNO2/c1-11-8-16(18)17(19-9-11)23-15-6-4-14(5-7-15)22-12(2)10-21-13(3)20;1-4-21-17(20)12(3)22-13-5-7-14(8-6-13)23-16-15(18)9-11(2)10-19-16;1-10-8-15(17(18,19)20)16(21-9-10)24-14-6-4-13(5-7-14)23-12(3)11(2)22;1-10-8-14(17)16(19-9-10)22-13-6-4-12(5-7-13)21-11(2)15(20)18-3;1-4-12(3)19-13-5-7-14(8-6-13)20-16-15(17)9-11(2)10-18-16/h4-9,12H,10H2,1-3H3;5-10,12H,4H2,1-3H3;4-9,12H,1-3H3;4-9,11H,1-3H3,(H,18,20);5-10,12H,4H2,1-3H3
InChIKeyUFSJDQRTRLOGJX-UHFFFAOYSA-N
MW1623.44 g/mol
LogP21.25
Rot. Bonds27

About 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one

2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one (PubChem CID 161079461) has the molecular formula C83H87Cl4F3N6O16 and a molecular weight of 1623.44 g/mol. Its IUPAC name is 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one.

Molecular Properties

Compound Name2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one
PubChem CID161079461
Molecular FormulaC83H87Cl4F3N6O16
Molecular Weight1623.44 g/mol
Exact Mass1620.49
IUPAC Name2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one
SMILESCC(=O)C(C)Oc1ccc(Oc2ncc(C)cc2C(F)(F)F)cc1.CC(=O)OCC(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1.CCC(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1.CCOC(=O)C(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1.CNC(=O)C(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1
InChIInChI=1S/2C17H18ClNO4.C17H16F3NO3.C16H17ClN2O3.C16H18ClNO2/c1-11-8-16(18)17(19-9-11)23-15-6-4-14(5-7-15)22-12(2)10-21-13(3)20;1-4-21-17(20)12(3)22-13-5-7-14(8-6-13)23-16-15(18)9-11(2)10-19-16;1-10-8-15(17(18,19)20)16(21-9-10)24-14-6-4-13(5-7-14)23-12(3)11(2)22;1-10-8-14(17)16(19-9-10)22-13-6-4-12(5-7-13)21-11(2)15(20)18-3;1-4-12(3)19-13-5-7-14(8-6-13)20-16-15(17)9-11(2)10-18-16/h4-9,12H,10H2,1-3H3;5-10,12H,4H2,1-3H3;4-9,12H,1-3H3;4-9,11H,1-3H3,(H,18,20);5-10,12H,4H2,1-3H3
InChIKeyUFSJDQRTRLOGJX-UHFFFAOYSA-N
XLogP21.25
TPSA255.52 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001623.44
LogP ≤ 521.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
CID 67661567
2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine
CID 89433011
2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 90363096
methoxymethyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
CID 67846451
(5R)-5-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]hexane-2,4-dione
CID 54039823
trideuteriomethyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
CID 155817554
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-(diethoxyphosphorylmethyl)propanamide
CID 14030479
N-(butylcarbamoyl)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide
CID 12850187
2-[4-(4-chlorophenoxy)phenoxy]propyl acetate
CID 54569126
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
2-amino-4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-2-diethoxyphosphorylpentan-3-one
CID 54288670
2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one?
The IUPAC name of 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one (CID 161079461) is 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one.
What is the SMILES notation for 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one?
The canonical SMILES for 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one is CC(=O)C(C)Oc1ccc(Oc2ncc(C)cc2C(F)(F)F)cc1.CC(=O)OCC(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1.CCC(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1.CCOC(=O)C(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1.CNC(=O)C(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1.
What is the InChIKey of 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one?
The InChIKey is UFSJDQRTRLOGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H18ClNO4.C17H16F3NO3.C16H17ClN2O3.C16H18ClNO2/c1-11-8-16(18)17(19-9-11)23-15-6-4-14(5-7-15)22-12(2)10-21-13(3)20;1-4-21-17(20)12(3)22-13-5-7-14(8-6-13)23-16-15(18)9-11(2)10-19-16;1-10-8-15(17(18,19)20)16(21-9-10)24-14-6-4-13(5-7-14)23-12(3)11(2)22;1-10-8-14(17)16(19-9-10)22-13-6-4-12(5-7-13)21-11(2)15(20)18-3;1-4-12(3)19-13-5-7-14(8-6-13)20-16-15(17)9-11(2)10-18-16/h4-9,12H,10H2,1-3H3;5-10,12H,4H2,1-3H3;4-9,12H,1-3H3;4-9,11H,1-3H3,(H,18,20);5-10,12H,4H2,1-3H3.
What are the key properties of 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one?
2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one has a molecular weight of 1623.44 g/mol, XLogP of 21.25, 27 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]-N-methylpropanamide;2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propyl acetate;ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate;3-[4-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]butan-2-one is sourced from PubChem (CID 161079461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).