5-bromo-N-(2-fluoroethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide

C86H94BBr2ClF4N18O10Si2 — CID 161164617

About 5-bromo-N-(2-fluoroethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide

5-bromo-N-(2-fluoroethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide (PubChem CID 161164617) has the molecular formula C86H94BBr2ClF4N18O10Si2 and a molecular weight of 1878.05 g/mol. Its IUPAC name is 5-bromo-N-(2-fluoroethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-(2-fluoroethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide
• PubChem CID: 161164617
• Molecular Formula: C86H94BBr2ClF4N18O10Si2
• Molecular Weight: 1878.05 g/mol
• Exact Mass: 1874.50
• IUPAC Name: 5-bromo-N-(2-fluoroethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide
• SMILES: CC1(C)OB(c2ccc(C(=O)NCCF)nc2)OC1(C)C.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(-c3ccc(C(=O)NCCF)nc3)nc21.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(Cl)nc21.O=C(NCCF)c1ccc(-c2ccc3c(n2)[nH]c2ccncc23)cn1.O=C(NCCF)c1ccc(Br)cn1.O=C(O)c1ccc(Br)cn1
• InChI: InChI=1S/C24H28FN5O2Si.C18H14FN5O.C16H20ClN3OSi.C14H20BFN2O3.C8H8BrFN2O.C6H4BrNO2/c1-33(2,3)13-12-32-16-30-22-8-10-26-15-19(22)18-5-7-20(29-23(18)30)17-4-6-21(28-14-17)24(31)27-11-9-25;19-6-8-21-18(25)16-3-1-11(9-22-16)14-4-2-12-13-10-20-7-5-15(13)24-17(12)23-14;1-22(2,3)9-8-21-11-20-14-6-7-18-10-13(14)12-4-5-15(17)19-16(12)20;1-13(2)14(3,4)21-15(20-13)10-5-6-11(18-9-10)12(19)17-8-7-16;9-6-1-2-7(12-5-6)8(13)11-4-3-10;7-4-1-2-5(6(9)10)8-3-4/h4-8,10,14-15H,9,11-13,16H2,1-3H3,(H,27,31);1-5,7,9-10H,6,8H2,(H,21,25)(H,23,24);4-7,10H,8-9,11H2,1-3H3;5-6,9H,7-8H2,1-4H3,(H,17,19);1-2,5H,3-4H2,(H,11,13);1-3H,(H,9,10)
• InChIKey: UQJARPWVZLZHQL-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 358.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1878.05
LogP ≤ 5	16.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluoroethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?

The IUPAC name of 5-bromo-N-(2-fluoroethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide (CID 161164617) is 5-bromo-N-(2-fluoroethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-bromo-N-(2-fluoroethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-bromo-N-(2-fluoroethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide is CC1(C)OB(c2ccc(C(=O)NCCF)nc2)OC1(C)C.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(-c3ccc(C(=O)NCCF)nc3)nc21.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(Cl)nc21.O=C(NCCF)c1ccc(-c2ccc3c(n2)[nH]c2ccncc23)cn1.O=C(NCCF)c1ccc(Br)cn1.O=C(O)c1ccc(Br)cn1.

What is the InChIKey of 5-bromo-N-(2-fluoroethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?

The InChIKey is UQJARPWVZLZHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2Si.C18H14FN5O.C16H20ClN3OSi.C14H20BFN2O3.C8H8BrFN2O.C6H4BrNO2/c1-33(2,3)13-12-32-16-30-22-8-10-26-15-19(22)18-5-7-20(29-23(18)30)17-4-6-21(28-14-17)24(31)27-11-9-25;19-6-8-21-18(25)16-3-1-11(9-22-16)14-4-2-12-13-10-20-7-5-15(13)24-17(12)23-14;1-22(2,3)9-8-21-11-20-14-6-7-18-10-13(14)12-4-5-15(17)19-16(12)20;1-13(2)14(3,4)21-15(20-13)10-5-6-11(18-9-10)12(19)17-8-7-16;9-6-1-2-7(12-5-6)8(13)11-4-3-10;7-4-1-2-5(6(9)10)8-3-4/h4-8,10,14-15H,9,11-13,16H2,1-3H3,(H,27,31);1-5,7,9-10H,6,8H2,(H,21,25)(H,23,24);4-7,10H,8-9,11H2,1-3H3;5-6,9H,7-8H2,1-4H3,(H,17,19);1-2,5H,3-4H2,(H,11,13);1-3H,(H,9,10).

What are the key properties of 5-bromo-N-(2-fluoroethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?

5-bromo-N-(2-fluoroethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide has a molecular weight of 1878.05 g/mol, XLogP of 16.25, 26 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(2-fluoroethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-fluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-fluoroethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide is sourced from PubChem (CID 161164617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).