2-Chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine

C160H229Cl2F4N15O7S3 — CID 161941117

IUPAC2-chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC1=NC(=CC=C1)C(C)C.CC1=NC(=CC=C1)C(C)C.CC1=NC(=CC=C1)C(C)C.CC1=NC(=CS1)C(C)C.CC(C)COC1=CC=CC(=N1)C(C)C.CC(C)C1=CC=CC=C1.CC(C)C1=CC(=CC=C1)OC.CC(C)C1=NC(=CC=C1)OC.CC(C)C1=NN(C=C1)C.CC(C)C1=CC=CC=C1OC.CC(C)C1=CC=CC=C1OCCOC(C)(C)C.CC(C)C1=CC=CC=N1.CC(C)C1=NC=CC(=C1)C(F)(F)F.CC(C)C1=NC(=CC(=C1)OC)Cl.CC(C)C1=CSC=N1.CC(C)C1=C(C=CC=N1)F.CC(C)C1=C(C=CC=N1)Cl.CC(C)C1=NC=CS1
InChIInChI=1S/C15H24O2.C12H19NO.2C10H14O.C9H12ClNO.C9H10F3N.C9H13NO.3C9H13N.C9H12.C8H10ClN.C8H10FN.C8H11N.C7H12N2.C7H11NS.2C6H9NS/c1-12(2)13-8-6-7-9-14(13)16-10-11-17-15(3,4)5;1-9(2)8-14-12-7-5-6-11(13-12)10(3)4;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)8-4-7(12-3)5-9(10)11-8;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-7(2)8-5-4-6-9(10-8)11-3;3*1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;2*1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-9-6(3)8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h6-9,12H,10-11H2,1-5H3;5-7,9-10H,8H2,1-4H3;2*4-8H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;3*4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;4-5H,1-3H3;2*3-5H,1-2H3
InChIKeyYKNORVBNVYAVHP-UHFFFAOYSA-N
MW2717.70 g/mol
LogP—
Rot. Bonds30

About 2-Chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine

2-Chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 161941117) has the molecular formula C160H229Cl2F4N15O7S3 and a molecular weight of 2717.70 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-Chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID161941117
Molecular FormulaC160H229Cl2F4N15O7S3
Molecular Weight2717.70 g/mol
Exact Mass2715.65
IUPAC Name2-chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC1=NC(=CC=C1)C(C)C.CC1=NC(=CC=C1)C(C)C.CC1=NC(=CC=C1)C(C)C.CC1=NC(=CS1)C(C)C.CC(C)COC1=CC=CC(=N1)C(C)C.CC(C)C1=CC=CC=C1.CC(C)C1=CC(=CC=C1)OC.CC(C)C1=NC(=CC=C1)OC.CC(C)C1=NN(C=C1)C.CC(C)C1=CC=CC=C1OC.CC(C)C1=CC=CC=C1OCCOC(C)(C)C.CC(C)C1=CC=CC=N1.CC(C)C1=NC=CC(=C1)C(F)(F)F.CC(C)C1=NC(=CC(=C1)OC)Cl.CC(C)C1=CSC=N1.CC(C)C1=C(C=CC=N1)F.CC(C)C1=C(C=CC=N1)Cl.CC(C)C1=NC=CS1
InChIInChI=1S/C15H24O2.C12H19NO.2C10H14O.C9H12ClNO.C9H10F3N.C9H13NO.3C9H13N.C9H12.C8H10ClN.C8H10FN.C8H11N.C7H12N2.C7H11NS.2C6H9NS/c1-12(2)13-8-6-7-9-14(13)16-10-11-17-15(3,4)5;1-9(2)8-14-12-7-5-6-11(13-12)10(3)4;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)8-4-7(12-3)5-9(10)11-8;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-7(2)8-5-4-6-9(10-8)11-3;3*1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;2*1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-9-6(3)8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h6-9,12H,10-11H2,1-5H3;5-7,9-10H,8H2,1-4H3;2*4-8H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;3*4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;4-5H,1-3H3;2*3-5H,1-2H3
InChIKeyYKNORVBNVYAVHP-UHFFFAOYSA-N
XLogP—
TPSA335.00 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms191
Complexity1780

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002717.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-Chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine with MolForge

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Related Compounds

CID 159860344
CID 159860344
CID 160371895
CID 160371895
CID 157727627
CID 157727627
CID 158851658
CID 158851658
CID 159088647
CID 159088647
CID 160462624
CID 160462624

Frequently Asked Questions

What is the IUPAC name of 2-Chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-Chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine (CID 161941117) is 2-chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-Chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-Chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine is CC1=NC(=CC=C1)C(C)C.CC1=NC(=CC=C1)C(C)C.CC1=NC(=CC=C1)C(C)C.CC1=NC(=CS1)C(C)C.CC(C)COC1=CC=CC(=N1)C(C)C.CC(C)C1=CC=CC=C1.CC(C)C1=CC(=CC=C1)OC.CC(C)C1=NC(=CC=C1)OC.CC(C)C1=NN(C=C1)C.CC(C)C1=CC=CC=C1OC.CC(C)C1=CC=CC=C1OCCOC(C)(C)C.CC(C)C1=CC=CC=N1.CC(C)C1=NC=CC(=C1)C(F)(F)F.CC(C)C1=NC(=CC(=C1)OC)Cl.CC(C)C1=CSC=N1.CC(C)C1=C(C=CC=N1)F.CC(C)C1=C(C=CC=N1)Cl.CC(C)C1=NC=CS1.
What is the InChIKey of 2-Chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is YKNORVBNVYAVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2.C12H19NO.2C10H14O.C9H12ClNO.C9H10F3N.C9H13NO.3C9H13N.C9H12.C8H10ClN.C8H10FN.C8H11N.C7H12N2.C7H11NS.2C6H9NS/c1-12(2)13-8-6-7-9-14(13)16-10-11-17-15(3,4)5;1-9(2)8-14-12-7-5-6-11(13-12)10(3)4;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)8-4-7(12-3)5-9(10)11-8;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-7(2)8-5-4-6-9(10-8)11-3;3*1-7(2)9-6-4-5-8(3)10-9;1-8(2)9-6-4-3-5-7-9;2*1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-9-6(3)8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h6-9,12H,10-11H2,1-5H3;5-7,9-10H,8H2,1-4H3;2*4-8H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;3*4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;4-5H,1-3H3;2*3-5H,1-2H3.
What are the key properties of 2-Chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine?
2-Chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 2717.70 g/mol, XLogP of not available, 30 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Chloro-4-methoxy-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;tris(2-methyl-6-propan-2-ylpyridine);2-methyl-4-propan-2-yl-1,3-thiazole;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 161941117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).