bis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine

C136H191Cl2F4N15 — CID 158137590

IUPACbis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESCC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccnc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1C.Cc1ccc(C(C)C)nc1C.Cc1cnc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(F)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/2C10H15N.2C9H12ClN.C9H10F3N.C9H12FN.8C9H13N.C8H11N/c2*1-7(2)10-6-5-8(3)9(4)11-10;2*1-6(2)9-8(10)4-7(3)5-11-9;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-6(2)9-8(10)4-7(3)5-11-9;1-7(2)9-4-8(3)5-10-6-9;3*1-7(2)9-5-4-8(3)10-6-9;4*1-7(2)9-5-4-8(3)6-10-9;1-7(2)8-4-3-5-9-6-8/h2*5-7H,1-4H3;2*4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;8*4-7H,1-3H3;3-7H,1-2H3
InChIKeyFTNQFQPNFNRJFO-UHFFFAOYSA-N
MW2183.03 g/mol
LogP40.17
Rot. Bonds15

About bis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine

bis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine (PubChem CID 158137590) has the molecular formula C136H191Cl2F4N15 and a molecular weight of 2183.03 g/mol. Its IUPAC name is bis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Namebis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
PubChem CID158137590
Molecular FormulaC136H191Cl2F4N15
Molecular Weight2183.03 g/mol
Exact Mass2180.47
IUPAC Namebis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESCC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccnc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1C.Cc1ccc(C(C)C)nc1C.Cc1cnc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(F)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/2C10H15N.2C9H12ClN.C9H10F3N.C9H12FN.8C9H13N.C8H11N/c2*1-7(2)10-6-5-8(3)9(4)11-10;2*1-6(2)9-8(10)4-7(3)5-11-9;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-6(2)9-8(10)4-7(3)5-11-9;1-7(2)9-4-8(3)5-10-6-9;3*1-7(2)9-5-4-8(3)10-6-9;4*1-7(2)9-5-4-8(3)6-10-9;1-7(2)8-4-3-5-9-6-8/h2*5-7H,1-4H3;2*4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;8*4-7H,1-3H3;3-7H,1-2H3
InChIKeyFTNQFQPNFNRJFO-UHFFFAOYSA-N
XLogP40.17
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002183.03
LogP ≤ 540.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze bis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine with MolForge

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Related Compounds

2-(2-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829616
2-(3-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829709
2-Chloro-3-[2-[2-(2-chlorophenyl)-3-pyridinyl]-1-pyridin-3-ylethyl]pyridine
CID 137657930
(4,4'-Di-tert-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kappaN)phenyl-kappaC]iridium(III) Hexafluorophosphate
CID 53260182
Tris[4,4'-bis(t-butyl)-2,2'-bipyridine]ruthenium(II) hexafluorophosphate
CID 12971076
Tris(4,4'-dimethyl-2,2'-bipyridine)ruthenium(II) hexafluorophosphate
CID 15198704
Iridium(3+) ion bis(3,5-difluoro-2-(pyridin-2-yl)benzen-1-ide) 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine hexafluoro-lambda5-phosphanuide
CID 137698751
(4,4'-Di-t-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kN)phenyl-kC]iridium(III) hexafluorophosphate
CID 60147002
Lambda2-ruthenium(2+) tris(4-ethenyl-4'-methyl-2,2'-bipyridine) bis(hexafluoro-lambda5-phosphanuide)
CID 165604873
4,4'-Bis(trifluoromethyl)-2,2'-bipyridinebis(3,5-difluoro-2-(5-methyl-2-pyridinyl)phenyl) iridium(iii) hexafluorophosphate
CID 166604231
Tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride
CID 170996857
Bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide);dihydrate
CID 139238460

Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
The IUPAC name of bis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine (CID 158137590) is bis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for bis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
The canonical SMILES for bis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine is CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccnc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1C.Cc1ccc(C(C)C)nc1C.Cc1cnc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(F)c1.Cc1cncc(C(C)C)c1.
What is the InChIKey of bis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
The InChIKey is FTNQFQPNFNRJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15N.2C9H12ClN.C9H10F3N.C9H12FN.8C9H13N.C8H11N/c2*1-7(2)10-6-5-8(3)9(4)11-10;2*1-6(2)9-8(10)4-7(3)5-11-9;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-6(2)9-8(10)4-7(3)5-11-9;1-7(2)9-4-8(3)5-10-6-9;3*1-7(2)9-5-4-8(3)10-6-9;4*1-7(2)9-5-4-8(3)6-10-9;1-7(2)8-4-3-5-9-6-8/h2*5-7H,1-4H3;2*4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;8*4-7H,1-3H3;3-7H,1-2H3.
What are the key properties of bis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
bis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine has a molecular weight of 2183.03 g/mol, XLogP of 40.17, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 158137590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).