5-bromo-N-ethylpyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;ethanamine;N-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C44H51BBr2N10O6 — CID 159919754

About 5-bromo-N-ethylpyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;ethanamine;N-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

5-bromo-N-ethylpyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;ethanamine;N-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159919754) has the molecular formula C44H51BBr2N10O6 and a molecular weight of 986.58 g/mol. Its IUPAC name is 5-bromo-N-ethylpyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;ethanamine;N-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-bromo-N-ethylpyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;ethanamine;N-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159919754
• Molecular Formula: C44H51BBr2N10O6
• Molecular Weight: 986.58 g/mol
• Exact Mass: 984.25
• IUPAC Name: 5-bromo-N-ethylpyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;ethanamine;N-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: CC1(C)OB(c2cnc3[nH]ccc3c2)OC1(C)C.CCN.CCNC(=O)c1ccc(-c2cnc3[nH]ccc3c2)cn1.CCNC(=O)c1ccc(Br)cn1.O=C(O)c1ccc(Br)cn1
• InChI: InChI=1S/C15H14N4O.C13H17BN2O2.C8H9BrN2O.C6H4BrNO2.C2H7N/c1-2-16-15(20)13-4-3-11(8-18-13)12-7-10-5-6-17-14(10)19-9-12;1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10;1-2-10-8(12)7-4-3-6(9)5-11-7;7-4-1-2-5(6(9)10)8-3-4;1-2-3/h3-9H,2H2,1H3,(H,16,20)(H,17,19);5-8H,1-4H3,(H,15,16);3-5H,2H2,1H3,(H,10,12);1-3H,(H,9,10);2-3H2,1H3
• InChIKey: NYFZLGWAJWPQST-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 236.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	986.58
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethylpyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;ethanamine;N-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-bromo-N-ethylpyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;ethanamine;N-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 159919754) is 5-bromo-N-ethylpyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;ethanamine;N-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-bromo-N-ethylpyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;ethanamine;N-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-bromo-N-ethylpyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;ethanamine;N-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is CC1(C)OB(c2cnc3[nH]ccc3c2)OC1(C)C.CCN.CCNC(=O)c1ccc(-c2cnc3[nH]ccc3c2)cn1.CCNC(=O)c1ccc(Br)cn1.O=C(O)c1ccc(Br)cn1.

What is the InChIKey of 5-bromo-N-ethylpyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;ethanamine;N-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is NYFZLGWAJWPQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O.C13H17BN2O2.C8H9BrN2O.C6H4BrNO2.C2H7N/c1-2-16-15(20)13-4-3-11(8-18-13)12-7-10-5-6-17-14(10)19-9-12;1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10;1-2-10-8(12)7-4-3-6(9)5-11-7;7-4-1-2-5(6(9)10)8-3-4;1-2-3/h3-9H,2H2,1H3,(H,16,20)(H,17,19);5-8H,1-4H3,(H,15,16);3-5H,2H2,1H3,(H,10,12);1-3H,(H,9,10);2-3H2,1H3.

What are the key properties of 5-bromo-N-ethylpyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;ethanamine;N-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

5-bromo-N-ethylpyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;ethanamine;N-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 986.58 g/mol, XLogP of 7.34, 7 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-ethylpyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;ethanamine;N-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159919754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).