4-bromo-3-iodopyridin-2-amine;tert-butyl 4-[2-(2-amino-4-bromo-3-pyridinyl)ethynyl]piperidine-1-carboxylate;tert-butyl N-(4-bromo-3-iodo-2-pyridinyl)carbamate;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-ethynylpiperidine-1-carboxylate;1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane

C114H168BBr5I2N20O14 — CID 167653675

About 4-bromo-3-iodopyridin-2-amine;tert-butyl 4-[2-(2-amino-4-bromo-3-pyridinyl)ethynyl]piperidine-1-carboxylate;tert-butyl N-(4-bromo-3-iodo-2-pyridinyl)carbamate;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-ethynylpiperidine-1-carboxylate;1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane

4-bromo-3-iodopyridin-2-amine;tert-butyl 4-[2-(2-amino-4-bromo-3-pyridinyl)ethynyl]piperidine-1-carboxylate;tert-butyl N-(4-bromo-3-iodo-2-pyridinyl)carbamate;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-ethynylpiperidine-1-carboxylate;1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane (PubChem CID 167653675) has the molecular formula C114H168BBr5I2N20O14 and a molecular weight of 2706.86 g/mol. Its IUPAC name is 4-bromo-3-iodopyridin-2-amine;tert-butyl 4-[2-(2-amino-4-bromo-3-pyridinyl)ethynyl]piperidine-1-carboxylate;tert-butyl N-(4-bromo-3-iodo-2-pyridinyl)carbamate;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-ethynylpiperidine-1-carboxylate;1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane.

Molecular Properties

• Compound Name: 4-bromo-3-iodopyridin-2-amine;tert-butyl 4-[2-(2-amino-4-bromo-3-pyridinyl)ethynyl]piperidine-1-carboxylate;tert-butyl N-(4-bromo-3-iodo-2-pyridinyl)carbamate;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-ethynylpiperidine-1-carboxylate;1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane
• PubChem CID: 167653675
• Molecular Formula: C114H168BBr5I2N20O14
• Molecular Weight: 2706.86 g/mol
• Exact Mass: 2700.71
• IUPAC Name: 4-bromo-3-iodopyridin-2-amine;tert-butyl 4-[2-(2-amino-4-bromo-3-pyridinyl)ethynyl]piperidine-1-carboxylate;tert-butyl N-(4-bromo-3-iodo-2-pyridinyl)carbamate;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-ethynylpiperidine-1-carboxylate;1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane
• SMILES: C.C.C.C.C.C.C#CC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)OC(=O)N1CCC(C#Cc2c(Br)ccnc2N)CC1.CC(C)(C)OC(=O)N1CCC(c2cc3c(-c4cnn(CC5CC5)c4)ccnc3[nH]2)CC1.CC(C)(C)OC(=O)N1CCC(c2cc3c(Br)ccnc3[nH]2)CC1.CC(C)(C)OC(=O)Nc1cc(Br)ccn1.CC(C)(C)OC(=O)Nc1nccc(Br)c1I.CC1(C)OB(c2cnn(CC3CC3)c2)OC1(C)C.Nc1nccc(Br)c1I
• InChI: InChI=1S/C24H31N5O2.2C17H22BrN3O2.C13H21BN2O2.C12H19NO2.C10H12BrIN2O2.C10H13BrN2O2.C5H4BrIN2.6CH4/c1-24(2,3)31-23(30)28-10-7-17(8-11-28)21-12-20-19(6-9-25-22(20)27-21)18-13-26-29(15-18)14-16-4-5-16;1-17(2,3)23-16(22)21-8-5-11(6-9-21)14-10-12-13(18)4-7-19-15(12)20-14;1-17(2,3)23-16(22)21-10-7-12(8-11-21)4-5-13-14(18)6-9-20-15(13)19;1-12(2)13(3,4)18-14(17-12)11-7-15-16(9-11)8-10-5-6-10;1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-10(2,3)16-9(15)14-8-7(12)6(11)4-5-13-8;1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8;6-3-1-2-9-5(8)4(3)7;;;;;;/h6,9,12-13,15-17H,4-5,7-8,10-11,14H2,1-3H3,(H,25,27);4,7,10-11H,5-6,8-9H2,1-3H3,(H,19,20);6,9,12H,7-8,10-11H2,1-3H3,(H2,19,20);7,9-10H,5-6,8H2,1-4H3;1,10H,6-9H2,2-4H3;4-5H,1-3H3,(H,13,14,15);4-6H,1-3H3,(H,12,13,14);1-2H,(H2,8,9);6*1H4
• InChIKey: QYDIAYHVANZYQV-UHFFFAOYSA-N
• XLogP: 29.51
• TPSA: 409.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2706.86
LogP ≤ 5	29.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-iodopyridin-2-amine;tert-butyl 4-[2-(2-amino-4-bromo-3-pyridinyl)ethynyl]piperidine-1-carboxylate;tert-butyl N-(4-bromo-3-iodo-2-pyridinyl)carbamate;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-ethynylpiperidine-1-carboxylate;1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane?

The IUPAC name of 4-bromo-3-iodopyridin-2-amine;tert-butyl 4-[2-(2-amino-4-bromo-3-pyridinyl)ethynyl]piperidine-1-carboxylate;tert-butyl N-(4-bromo-3-iodo-2-pyridinyl)carbamate;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-ethynylpiperidine-1-carboxylate;1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane (CID 167653675) is 4-bromo-3-iodopyridin-2-amine;tert-butyl 4-[2-(2-amino-4-bromo-3-pyridinyl)ethynyl]piperidine-1-carboxylate;tert-butyl N-(4-bromo-3-iodo-2-pyridinyl)carbamate;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-ethynylpiperidine-1-carboxylate;1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane.

What is the SMILES notation for 4-bromo-3-iodopyridin-2-amine;tert-butyl 4-[2-(2-amino-4-bromo-3-pyridinyl)ethynyl]piperidine-1-carboxylate;tert-butyl N-(4-bromo-3-iodo-2-pyridinyl)carbamate;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-ethynylpiperidine-1-carboxylate;1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane?

The canonical SMILES for 4-bromo-3-iodopyridin-2-amine;tert-butyl 4-[2-(2-amino-4-bromo-3-pyridinyl)ethynyl]piperidine-1-carboxylate;tert-butyl N-(4-bromo-3-iodo-2-pyridinyl)carbamate;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-ethynylpiperidine-1-carboxylate;1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane is C.C.C.C.C.C.C#CC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)OC(=O)N1CCC(C#Cc2c(Br)ccnc2N)CC1.CC(C)(C)OC(=O)N1CCC(c2cc3c(-c4cnn(CC5CC5)c4)ccnc3[nH]2)CC1.CC(C)(C)OC(=O)N1CCC(c2cc3c(Br)ccnc3[nH]2)CC1.CC(C)(C)OC(=O)Nc1cc(Br)ccn1.CC(C)(C)OC(=O)Nc1nccc(Br)c1I.CC1(C)OB(c2cnn(CC3CC3)c2)OC1(C)C.Nc1nccc(Br)c1I.

What is the InChIKey of 4-bromo-3-iodopyridin-2-amine;tert-butyl 4-[2-(2-amino-4-bromo-3-pyridinyl)ethynyl]piperidine-1-carboxylate;tert-butyl N-(4-bromo-3-iodo-2-pyridinyl)carbamate;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-ethynylpiperidine-1-carboxylate;1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane?

The InChIKey is QYDIAYHVANZYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2.2C17H22BrN3O2.C13H21BN2O2.C12H19NO2.C10H12BrIN2O2.C10H13BrN2O2.C5H4BrIN2.6CH4/c1-24(2,3)31-23(30)28-10-7-17(8-11-28)21-12-20-19(6-9-25-22(20)27-21)18-13-26-29(15-18)14-16-4-5-16;1-17(2,3)23-16(22)21-8-5-11(6-9-21)14-10-12-13(18)4-7-19-15(12)20-14;1-17(2,3)23-16(22)21-10-7-12(8-11-21)4-5-13-14(18)6-9-20-15(13)19;1-12(2)13(3,4)18-14(17-12)11-7-15-16(9-11)8-10-5-6-10;1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-10(2,3)16-9(15)14-8-7(12)6(11)4-5-13-8;1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8;6-3-1-2-9-5(8)4(3)7;;;;;;/h6,9,12-13,15-17H,4-5,7-8,10-11,14H2,1-3H3,(H,25,27);4,7,10-11H,5-6,8-9H2,1-3H3,(H,19,20);6,9,12H,7-8,10-11H2,1-3H3,(H2,19,20);7,9-10H,5-6,8H2,1-4H3;1,10H,6-9H2,2-4H3;4-5H,1-3H3,(H,13,14,15);4-6H,1-3H3,(H,12,13,14);1-2H,(H2,8,9);6*1H4.

What are the key properties of 4-bromo-3-iodopyridin-2-amine;tert-butyl 4-[2-(2-amino-4-bromo-3-pyridinyl)ethynyl]piperidine-1-carboxylate;tert-butyl N-(4-bromo-3-iodo-2-pyridinyl)carbamate;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-ethynylpiperidine-1-carboxylate;1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane?

4-bromo-3-iodopyridin-2-amine;tert-butyl 4-[2-(2-amino-4-bromo-3-pyridinyl)ethynyl]piperidine-1-carboxylate;tert-butyl N-(4-bromo-3-iodo-2-pyridinyl)carbamate;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-ethynylpiperidine-1-carboxylate;1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane has a molecular weight of 2706.86 g/mol, XLogP of 29.51, 10 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-3-iodopyridin-2-amine;tert-butyl 4-[2-(2-amino-4-bromo-3-pyridinyl)ethynyl]piperidine-1-carboxylate;tert-butyl N-(4-bromo-3-iodo-2-pyridinyl)carbamate;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;tert-butyl 4-ethynylpiperidine-1-carboxylate;1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane is sourced from PubChem (CID 167653675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).