3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate

C116H173F4N21O16 — CID 160812995

About 3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate

3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate (PubChem CID 160812995) has the molecular formula C116H173F4N21O16 and a molecular weight of 2193.78 g/mol. Its IUPAC name is 3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: 3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate
• PubChem CID: 160812995
• Molecular Formula: C116H173F4N21O16
• Molecular Weight: 2193.78 g/mol
• Exact Mass: 2192.33
• IUPAC Name: 3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate
• SMILES: CC(C)C#Cc1cccnc1.CC(C)C#Cc1ccncc1.CC(C)C#Cc1ncccc1F.CC(C)NC(=O)OC(C)C.CC(C)NC(=O)OC1CCC(C)(F)C1.CC(C)NC(=O)OC1CCC2(CC2)C1.CC(C)NC(=O)OC1CCCC(C)(F)C1.CC(C)NC(=O)OCc1ncccc1F.CC(C)NC(=O)OCc1ncn(C)n1.Cc1cc(COC(=O)NC(C)C)n[nH]1.Cc1ccnc(C#CC(C)C)n1.Cc1ccnc(COC(=O)NC(C)C)n1
• InChI: InChI=1S/C11H20FNO2.C11H19NO2.C10H13FN2O2.C10H18FNO2.C10H10FN.C10H15N3O2.C10H12N2.2C10H11N.C9H15N3O2.C8H14N4O2.C7H15NO2/c1-8(2)13-10(14)15-9-5-4-6-11(3,12)7-9;1-8(2)12-10(13)14-9-3-4-11(7-9)5-6-11;1-7(2)13-10(14)15-6-9-8(11)4-3-5-12-9;1-7(2)12-9(13)14-8-4-5-10(3,11)6-8;1-8(2)5-6-10-9(11)4-3-7-12-10;1-7(2)12-10(14)15-6-9-11-5-4-8(3)13-9;1-8(2)4-5-10-11-7-6-9(3)12-10;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-6-10-4-3-7-11-8-10;1-6(2)10-9(13)14-5-8-4-7(3)11-12-8;1-6(2)10-8(13)14-4-7-9-5-12(3)11-7;1-5(2)8-7(9)10-6(3)4/h8-9H,4-7H2,1-3H3,(H,13,14);8-9H,3-7H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,13,14);7-8H,4-6H2,1-3H3,(H,12,13);3-4,7-8H,1-2H3;4-5,7H,6H2,1-3H3,(H,12,14);6-8H,1-3H3;5-9H,1-2H3;3-4,7-9H,1-2H3;4,6H,5H2,1-3H3,(H,10,13)(H,11,12);5-6H,4H2,1-3H3,(H,10,13);5-6H,1-4H3,(H,8,9)
• InChIKey: SENSPLYVGHVBIK-UHFFFAOYSA-N
• XLogP: 22.45
• TPSA: 469.15 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.78
LogP ≤ 5	22.45
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate?

The IUPAC name of 3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate (CID 160812995) is 3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate.

What is the SMILES notation for 3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate?

The canonical SMILES for 3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate is CC(C)C#Cc1cccnc1.CC(C)C#Cc1ccncc1.CC(C)C#Cc1ncccc1F.CC(C)NC(=O)OC(C)C.CC(C)NC(=O)OC1CCC(C)(F)C1.CC(C)NC(=O)OC1CCC2(CC2)C1.CC(C)NC(=O)OC1CCCC(C)(F)C1.CC(C)NC(=O)OCc1ncccc1F.CC(C)NC(=O)OCc1ncn(C)n1.Cc1cc(COC(=O)NC(C)C)n[nH]1.Cc1ccnc(C#CC(C)C)n1.Cc1ccnc(COC(=O)NC(C)C)n1.

What is the InChIKey of 3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate?

The InChIKey is SENSPLYVGHVBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2.C11H19NO2.C10H13FN2O2.C10H18FNO2.C10H10FN.C10H15N3O2.C10H12N2.2C10H11N.C9H15N3O2.C8H14N4O2.C7H15NO2/c1-8(2)13-10(14)15-9-5-4-6-11(3,12)7-9;1-8(2)12-10(13)14-9-3-4-11(7-9)5-6-11;1-7(2)13-10(14)15-6-9-8(11)4-3-5-12-9;1-7(2)12-9(13)14-8-4-5-10(3,11)6-8;1-8(2)5-6-10-9(11)4-3-7-12-10;1-7(2)12-10(14)15-6-9-11-5-4-8(3)13-9;1-8(2)4-5-10-11-7-6-9(3)12-10;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-6-10-4-3-7-11-8-10;1-6(2)10-9(13)14-5-8-4-7(3)11-12-8;1-6(2)10-8(13)14-4-7-9-5-12(3)11-7;1-5(2)8-7(9)10-6(3)4/h8-9H,4-7H2,1-3H3,(H,13,14);8-9H,3-7H2,1-2H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,13,14);7-8H,4-6H2,1-3H3,(H,12,13);3-4,7-8H,1-2H3;4-5,7H,6H2,1-3H3,(H,12,14);6-8H,1-3H3;5-9H,1-2H3;3-4,7-9H,1-2H3;4,6H,5H2,1-3H3,(H,10,13)(H,11,12);5-6H,4H2,1-3H3,(H,10,13);5-6H,1-4H3,(H,8,9).

What are the key properties of 3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate?

3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate has a molecular weight of 2193.78 g/mol, XLogP of 22.45, 20 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-2-(3-methylbut-1-ynyl)pyridine;(3-fluoro-3-methylcyclohexyl) N-propan-2-ylcarbamate;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(3-fluoro-2-pyridinyl)methyl N-propan-2-ylcarbamate;3-(3-methylbut-1-ynyl)pyridine;4-(3-methylbut-1-ynyl)pyridine;4-methyl-2-(3-methylbut-1-ynyl)pyrimidine;(5-methyl-1H-pyrazol-3-yl)methyl N-propan-2-ylcarbamate;(4-methylpyrimidin-2-yl)methyl N-propan-2-ylcarbamate;(1-methyl-1,2,4-triazol-3-yl)methyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate;spiro[2.4]heptan-6-yl N-propan-2-ylcarbamate is sourced from PubChem (CID 160812995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).