5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine

C111H139ClF8N8O8 — CID 159069691

IUPAC5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)c1cc(F)ccc1OC(F)F.CC(C)c1ccccn1.CC(C)c1ccncc1.CCOc1ccc(C#N)cc1C(C)C.CCOc1ccc(F)cc1C(C)C.COc1ccc(C#N)cc1C(C)C.COc1ccc(C#N)nc1C(C)C.COc1ccc(C(F)(F)F)cc1C(C)C.COc1ccc(F)cc1C(C)C.COc1ncc(Cl)cc1C(C)C.Cc1ccc(C#N)cc1C(C)C
InChIInChI=1S/C12H15NO.C11H13F3O.C11H15FO.C11H13NO.C11H13N.C10H11F3O.C10H13FO.C10H12N2O.C9H12ClNO.2C8H11N/c1-4-14-12-6-5-10(8-13)7-11(12)9(2)3;1-7(2)9-6-8(11(12,13)14)4-5-10(9)15-3;1-4-13-11-6-5-9(12)7-10(11)8(2)3;1-8(2)10-6-9(7-12)4-5-11(10)13-3;1-8(2)11-6-10(7-12)5-4-9(11)3;1-6(2)8-5-7(11)3-4-9(8)14-10(12)13;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)10-9(13-3)5-4-8(6-11)12-10;1-6(2)8-4-7(10)5-11-9(8)12-3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8/h5-7,9H,4H2,1-3H3;4-7H,1-3H3;5-8H,4H2,1-3H3;4-6,8H,1-3H3;4-6,8H,1-3H3;3-6,10H,1-2H3;4-7H,1-3H3;4-5,7H,1-3H3;4-6H,1-3H3;2*3-7H,1-2H3
InChIKeyJZMHAGPPHNIJGH-UHFFFAOYSA-N
MW1900.82 g/mol
LogP31.82
Rot. Bonds22

About 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine

5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 159069691) has the molecular formula C111H139ClF8N8O8 and a molecular weight of 1900.82 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine
PubChem CID159069691
Molecular FormulaC111H139ClF8N8O8
Molecular Weight1900.82 g/mol
Exact Mass1899.03
IUPAC Name5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)c1cc(F)ccc1OC(F)F.CC(C)c1ccccn1.CC(C)c1ccncc1.CCOc1ccc(C#N)cc1C(C)C.CCOc1ccc(F)cc1C(C)C.COc1ccc(C#N)cc1C(C)C.COc1ccc(C#N)nc1C(C)C.COc1ccc(C(F)(F)F)cc1C(C)C.COc1ccc(F)cc1C(C)C.COc1ncc(Cl)cc1C(C)C.Cc1ccc(C#N)cc1C(C)C
InChIInChI=1S/C12H15NO.C11H13F3O.C11H15FO.C11H13NO.C11H13N.C10H11F3O.C10H13FO.C10H12N2O.C9H12ClNO.2C8H11N/c1-4-14-12-6-5-10(8-13)7-11(12)9(2)3;1-7(2)9-6-8(11(12,13)14)4-5-10(9)15-3;1-4-13-11-6-5-9(12)7-10(11)8(2)3;1-8(2)10-6-9(7-12)4-5-11(10)13-3;1-8(2)11-6-10(7-12)5-4-9(11)3;1-6(2)8-5-7(11)3-4-9(8)14-10(12)13;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)10-9(13-3)5-4-8(6-11)12-10;1-6(2)8-4-7(10)5-11-9(8)12-3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8/h5-7,9H,4H2,1-3H3;4-7H,1-3H3;5-8H,4H2,1-3H3;4-6,8H,1-3H3;4-6,8H,1-3H3;3-6,10H,1-2H3;4-7H,1-3H3;4-5,7H,1-3H3;4-6H,1-3H3;2*3-7H,1-2H3
InChIKeyJZMHAGPPHNIJGH-UHFFFAOYSA-N
XLogP31.82
TPSA220.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms136
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001900.82
LogP ≤ 531.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 159069691) is 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine is CC(C)c1cc(F)ccc1OC(F)F.CC(C)c1ccccn1.CC(C)c1ccncc1.CCOc1ccc(C#N)cc1C(C)C.CCOc1ccc(F)cc1C(C)C.COc1ccc(C#N)cc1C(C)C.COc1ccc(C#N)nc1C(C)C.COc1ccc(C(F)(F)F)cc1C(C)C.COc1ccc(F)cc1C(C)C.COc1ncc(Cl)cc1C(C)C.Cc1ccc(C#N)cc1C(C)C.
What is the InChIKey of 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is JZMHAGPPHNIJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C11H13F3O.C11H15FO.C11H13NO.C11H13N.C10H11F3O.C10H13FO.C10H12N2O.C9H12ClNO.2C8H11N/c1-4-14-12-6-5-10(8-13)7-11(12)9(2)3;1-7(2)9-6-8(11(12,13)14)4-5-10(9)15-3;1-4-13-11-6-5-9(12)7-10(11)8(2)3;1-8(2)10-6-9(7-12)4-5-11(10)13-3;1-8(2)11-6-10(7-12)5-4-9(11)3;1-6(2)8-5-7(11)3-4-9(8)14-10(12)13;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)10-9(13-3)5-4-8(6-11)12-10;1-6(2)8-4-7(10)5-11-9(8)12-3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8/h5-7,9H,4H2,1-3H3;4-7H,1-3H3;5-8H,4H2,1-3H3;4-6,8H,1-3H3;4-6,8H,1-3H3;3-6,10H,1-2H3;4-7H,1-3H3;4-5,7H,1-3H3;4-6H,1-3H3;2*3-7H,1-2H3.
What are the key properties of 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 1900.82 g/mol, XLogP of 31.82, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-propan-2-ylpyridine;1-(difluoromethoxy)-4-fluoro-2-propan-2-ylbenzene;1-ethoxy-4-fluoro-2-propan-2-ylbenzene;4-ethoxy-3-propan-2-ylbenzonitrile;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;5-methoxy-6-propan-2-ylpyridine-2-carbonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;4-methyl-3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 159069691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).