2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole

C134H195Cl2FN12OS — CID 159918619

IUPAC2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole
SMILESC.C.C.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1ccco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.Cc1cc(C(C)C)cc(Cl)n1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)n1C
InChIInChI=1S/C13H14.C10H14.C9H12ClN.C9H15N.5C9H13N.C9H12.C8H10ClN.C8H10FN.C7H12N2.C7H10O.C6H9NS.3CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-7(3)11-9(10)5-8;1-7(2)9-6-5-8(3)10(9)4;4*1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;2*1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;;;/h3-10H,1-2H3;4-8H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;5*4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3*1H4
InChIKeyNYCNZMUJNQMLIC-UHFFFAOYSA-N
MW2112.09 g/mol
LogP41.41
Rot. Bonds15

About 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole

2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole (PubChem CID 159918619) has the molecular formula C134H195Cl2FN12OS and a molecular weight of 2112.09 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole
PubChem CID159918619
Molecular FormulaC134H195Cl2FN12OS
Molecular Weight2112.09 g/mol
Exact Mass2109.47
IUPAC Name2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole
SMILESC.C.C.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1ccco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.Cc1cc(C(C)C)cc(Cl)n1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)n1C
InChIInChI=1S/C13H14.C10H14.C9H12ClN.C9H15N.5C9H13N.C9H12.C8H10ClN.C8H10FN.C7H12N2.C7H10O.C6H9NS.3CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-7(3)11-9(10)5-8;1-7(2)9-6-5-8(3)10(9)4;4*1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;2*1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;;;/h3-10H,1-2H3;4-8H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;5*4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3*1H4
InChIKeyNYCNZMUJNQMLIC-UHFFFAOYSA-N
XLogP41.41
TPSA151.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002112.09
LogP ≤ 541.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole (CID 159918619) is 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole is C.C.C.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1ccco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.Cc1cc(C(C)C)cc(Cl)n1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)n1C.
What is the InChIKey of 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole?
The InChIKey is NYCNZMUJNQMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C10H14.C9H12ClN.C9H15N.5C9H13N.C9H12.C8H10ClN.C8H10FN.C7H12N2.C7H10O.C6H9NS.3CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-7(3)11-9(10)5-8;1-7(2)9-6-5-8(3)10(9)4;4*1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;2*1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;;;/h3-10H,1-2H3;4-8H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;5*4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3*1H4.
What are the key properties of 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole?
2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole has a molecular weight of 2112.09 g/mol, XLogP of 41.41, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;cumene;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;2-propan-2-ylfuran;1-propan-2-ylnaphthalene;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159918619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).