5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine

C77H103BrCl2F3N13O6 — CID 158780908

IUPAC5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)c1cc(Cl)ncc1Br.CC(C)c1cccnc1[N+](=O)[O-].CC(C)c1ccnc(Cl)c1.CC(C)c1ccncc1.CC(C)c1ccncc1C#N.CC(C)c1ccncc1C(F)(F)F.Cc1cnc(C(C)C)o1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1.Cc1occc1C(C)C
InChIInChI=1S/C9H10F3N.C9H10N2.C8H9BrClN.C8H10ClN.C8H10N2O2.C8H11N.C8H12O.C7H11NO.2C6H10N2O/c1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)9-3-4-11-6-8(9)5-10;1-5(2)6-3-8(10)11-4-7(6)9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-9-8(7)10(11)12;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-5-9-7(8)3;1-5(2)7-8-4-6(3)9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6/h3-6H,1-2H3;3-4,6-7H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;4-5H,1-3H3;2*4H,1-3H3
InChIKeyIRBKTHRNEQRZGX-UHFFFAOYSA-N
MW1514.56 g/mol
LogP23.92
Rot. Bonds11

About 5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine

5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine (PubChem CID 158780908) has the molecular formula C77H103BrCl2F3N13O6 and a molecular weight of 1514.56 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine
PubChem CID158780908
Molecular FormulaC77H103BrCl2F3N13O6
Molecular Weight1514.56 g/mol
Exact Mass1511.67
IUPAC Name5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)c1cc(Cl)ncc1Br.CC(C)c1cccnc1[N+](=O)[O-].CC(C)c1ccnc(Cl)c1.CC(C)c1ccncc1.CC(C)c1ccncc1C#N.CC(C)c1ccncc1C(F)(F)F.Cc1cnc(C(C)C)o1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1.Cc1occc1C(C)C
InChIInChI=1S/C9H10F3N.C9H10N2.C8H9BrClN.C8H10ClN.C8H10N2O2.C8H11N.C8H12O.C7H11NO.2C6H10N2O/c1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)9-3-4-11-6-8(9)5-10;1-5(2)6-3-8(10)11-4-7(6)9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-9-8(7)10(11)12;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-5-9-7(8)3;1-5(2)7-8-4-6(3)9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6/h3-6H,1-2H3;3-4,6-7H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;4-5H,1-3H3;2*4H,1-3H3
InChIKeyIRBKTHRNEQRZGX-UHFFFAOYSA-N
XLogP23.92
TPSA261.28 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001514.56
LogP ≤ 523.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

5-Bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 158437216

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine (CID 158780908) is 5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine is CC(C)c1cc(Cl)ncc1Br.CC(C)c1cccnc1[N+](=O)[O-].CC(C)c1ccnc(Cl)c1.CC(C)c1ccncc1.CC(C)c1ccncc1C#N.CC(C)c1ccncc1C(F)(F)F.Cc1cnc(C(C)C)o1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1.Cc1occc1C(C)C.
What is the InChIKey of 5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine?
The InChIKey is IRBKTHRNEQRZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N.C9H10N2.C8H9BrClN.C8H10ClN.C8H10N2O2.C8H11N.C8H12O.C7H11NO.2C6H10N2O/c1-6(2)7-3-4-13-5-8(7)9(10,11)12;1-7(2)9-3-4-11-6-8(9)5-10;1-5(2)6-3-8(10)11-4-7(6)9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-9-8(7)10(11)12;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-5-9-7(8)3;1-5(2)7-8-4-6(3)9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6/h3-6H,1-2H3;3-4,6-7H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;4-5H,1-3H3;2*4H,1-3H3.
What are the key properties of 5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine?
5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine has a molecular weight of 1514.56 g/mol, XLogP of 23.92, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 158780908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).