2-amino-5-bromopyridine-3-carboxamide;6-bromo-2-(3-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one;3-fluorobenzaldehyde

C26H18Br2F2N6O3 — CID 158599831

About 2-amino-5-bromopyridine-3-carboxamide;6-bromo-2-(3-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one;3-fluorobenzaldehyde

2-amino-5-bromopyridine-3-carboxamide;6-bromo-2-(3-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one;3-fluorobenzaldehyde (PubChem CID 158599831) has the molecular formula C26H18Br2F2N6O3 and a molecular weight of 660.27 g/mol. Its IUPAC name is 2-amino-5-bromopyridine-3-carboxamide;6-bromo-2-(3-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one;3-fluorobenzaldehyde.

Molecular Properties

• Compound Name: 2-amino-5-bromopyridine-3-carboxamide;6-bromo-2-(3-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one;3-fluorobenzaldehyde
• PubChem CID: 158599831
• Molecular Formula: C26H18Br2F2N6O3
• Molecular Weight: 660.27 g/mol
• Exact Mass: 657.98
• IUPAC Name: 2-amino-5-bromopyridine-3-carboxamide;6-bromo-2-(3-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one;3-fluorobenzaldehyde
• SMILES: NC(=O)c1cc(Br)cnc1N.O=Cc1cccc(F)c1.O=c1[nH]c(-c2cccc(F)c2)nc2ncc(Br)cc12
• InChI: InChI=1S/C13H7BrFN3O.C7H5FO.C6H6BrN3O/c14-8-5-10-12(16-6-8)17-11(18-13(10)19)7-2-1-3-9(15)4-7;8-7-3-1-2-6(4-7)5-9;7-3-1-4(6(9)11)5(8)10-2-3/h1-6H,(H,16,17,18,19);1-5H;1-2H,(H2,8,10)(H2,9,11)
• InChIKey: HVMOQXDBKGSGJX-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 157.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.27
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromopyridine-3-carboxamide;6-bromo-2-(3-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one;3-fluorobenzaldehyde?

The IUPAC name of 2-amino-5-bromopyridine-3-carboxamide;6-bromo-2-(3-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one;3-fluorobenzaldehyde (CID 158599831) is 2-amino-5-bromopyridine-3-carboxamide;6-bromo-2-(3-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one;3-fluorobenzaldehyde.

What is the SMILES notation for 2-amino-5-bromopyridine-3-carboxamide;6-bromo-2-(3-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one;3-fluorobenzaldehyde?

The canonical SMILES for 2-amino-5-bromopyridine-3-carboxamide;6-bromo-2-(3-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one;3-fluorobenzaldehyde is NC(=O)c1cc(Br)cnc1N.O=Cc1cccc(F)c1.O=c1[nH]c(-c2cccc(F)c2)nc2ncc(Br)cc12.

What is the InChIKey of 2-amino-5-bromopyridine-3-carboxamide;6-bromo-2-(3-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one;3-fluorobenzaldehyde?

The InChIKey is HVMOQXDBKGSGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3O.C7H5FO.C6H6BrN3O/c14-8-5-10-12(16-6-8)17-11(18-13(10)19)7-2-1-3-9(15)4-7;8-7-3-1-2-6(4-7)5-9;7-3-1-4(6(9)11)5(8)10-2-3/h1-6H,(H,16,17,18,19);1-5H;1-2H,(H2,8,10)(H2,9,11).

What are the key properties of 2-amino-5-bromopyridine-3-carboxamide;6-bromo-2-(3-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one;3-fluorobenzaldehyde?

2-amino-5-bromopyridine-3-carboxamide;6-bromo-2-(3-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one;3-fluorobenzaldehyde has a molecular weight of 660.27 g/mol, XLogP of 5.05, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-bromopyridine-3-carboxamide;6-bromo-2-(3-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one;3-fluorobenzaldehyde is sourced from PubChem (CID 158599831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).