2-chloro-5-propan-2-ylpyrazine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine

C185H247ClF4N30O10 — CID 158292226

About 2-chloro-5-propan-2-ylpyrazine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine

2-chloro-5-propan-2-ylpyrazine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 158292226) has the molecular formula C185H247ClF4N30O10 and a molecular weight of 3162.66 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylpyrazine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-chloro-5-propan-2-ylpyrazine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine
• PubChem CID: 158292226
• Molecular Formula: C185H247ClF4N30O10
• Molecular Weight: 3162.66 g/mol
• Exact Mass: 3159.94
• IUPAC Name: 2-chloro-5-propan-2-ylpyrazine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine
• SMILES: CC(C)c1ccc(F)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(O)cn1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cccc(=O)[nH]1.CC(C)c1cccc(C#N)n1.CC(C)c1cccc(N)n1.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(N)c1.CC(C)c1cnc(Cl)cn1.COC(=O)c1cc(C(C)C)ccn1.COC(=O)c1ccc(C(C)C)nc1.COC(=O)c1cccc(C(C)C)n1.COc1cccc(C(C)C)n1.COc1cnc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1
• InChI: InChI=1S/2C10H12N2.3C10H13NO2.C9H10F3N.2C9H10N2.C9H13NO.4C9H13N.C8H10FN.C8H12N2O.3C8H12N2.2C8H11NO.C7H9ClN2/c1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)9-5-4-8(6-11-9)10(12)13-3;1-7(2)8-4-5-11-9(6-8)10(12)13-3;1-7(2)8-5-4-6-9(11-8)10(12)13-3;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)8-3-4-11-9(5-8)6-10;1-7(2)9-5-3-4-8(6-10)11-9;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-4-10-8(11-3)5-9-7;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-4-3-7(10)5-9-8;1-6(2)7-4-3-5-8(10)9-7;1-5(2)6-3-10-7(8)4-9-6/h2*3-7H,1-2H3,(H,11,12);3*4-7H,1-3H3;3-6H,1-2H3;2*3-5,7H,1-2H3;4-7H,1-3H3;4*4-7H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;3-6H,9H2,1-2H3;2*3-6H,1-2H3,(H2,9,10);3-6,10H,1-2H3;3-6H,1-2H3,(H,9,10);3-5H,1-2H3
• InChIKey: GLMLBHUWMLAKJI-UHFFFAOYSA-N
• XLogP: 45.97
• TPSA: 591.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 26
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3162.66
LogP ≤ 5	45.97
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-ylpyrazine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine?

The IUPAC name of 2-chloro-5-propan-2-ylpyrazine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine (CID 158292226) is 2-chloro-5-propan-2-ylpyrazine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-chloro-5-propan-2-ylpyrazine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine?

The canonical SMILES for 2-chloro-5-propan-2-ylpyrazine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)c1ccc(F)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(O)cn1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cccc(=O)[nH]1.CC(C)c1cccc(C#N)n1.CC(C)c1cccc(N)n1.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(N)c1.CC(C)c1cnc(Cl)cn1.COC(=O)c1cc(C(C)C)ccn1.COC(=O)c1ccc(C(C)C)nc1.COC(=O)c1cccc(C(C)C)n1.COc1cccc(C(C)C)n1.COc1cnc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.

What is the InChIKey of 2-chloro-5-propan-2-ylpyrazine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine?

The InChIKey is GLMLBHUWMLAKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12N2.3C10H13NO2.C9H10F3N.2C9H10N2.C9H13NO.4C9H13N.C8H10FN.C8H12N2O.3C8H12N2.2C8H11NO.C7H9ClN2/c1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)9-5-4-8(6-11-9)10(12)13-3;1-7(2)8-4-5-11-9(6-8)10(12)13-3;1-7(2)8-5-4-6-9(11-8)10(12)13-3;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)8-3-4-11-9(5-8)6-10;1-7(2)9-5-3-4-8(6-10)11-9;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-4-10-8(11-3)5-9-7;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-4-3-7(10)5-9-8;1-6(2)7-4-3-5-8(10)9-7;1-5(2)6-3-10-7(8)4-9-6/h2*3-7H,1-2H3,(H,11,12);3*4-7H,1-3H3;3-6H,1-2H3;2*3-5,7H,1-2H3;4-7H,1-3H3;4*4-7H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;3-6H,9H2,1-2H3;2*3-6H,1-2H3,(H2,9,10);3-6,10H,1-2H3;3-6H,1-2H3,(H,9,10);3-5H,1-2H3.

What are the key properties of 2-chloro-5-propan-2-ylpyrazine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine?

2-chloro-5-propan-2-ylpyrazine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3162.66 g/mol, XLogP of 45.97, 26 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-propan-2-ylpyrazine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 158292226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).