6-bromo-7-fluoro-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate

C36H30Br2Cl2F2N14O8 — CID 163793268

About 6-bromo-7-fluoro-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate

6-bromo-7-fluoro-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate (PubChem CID 163793268) has the molecular formula C36H30Br2Cl2F2N14O8 and a molecular weight of 1055.44 g/mol. Its IUPAC name is 6-bromo-7-fluoro-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate.

Molecular Properties

• Compound Name: 6-bromo-7-fluoro-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate
• PubChem CID: 163793268
• Molecular Formula: C36H30Br2Cl2F2N14O8
• Molecular Weight: 1055.44 g/mol
• Exact Mass: 1052.01
• IUPAC Name: 6-bromo-7-fluoro-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate
• SMILES: C[C@@H](OC(=O)Nc1c(-c2nc3c(cc2F)NC(=O)CO3)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Nc1c(Br)nnn1C)c1cccnc1Cl.O=C1COc2nc(Br)c(F)cc2N1
• InChI: InChI=1S/C18H15ClFN7O4.C11H11BrClN5O2.C7H4BrFN2O2/c1-8(9-4-3-5-21-15(9)19)31-18(29)24-16-14(25-26-27(16)2)13-10(20)6-11-17(23-13)30-7-12(28)22-11;1-6(7-4-3-5-14-9(7)13)20-11(19)15-10-8(12)16-17-18(10)2;8-6-3(9)1-4-7(11-6)13-2-5(12)10-4/h3-6,8H,7H2,1-2H3,(H,22,28)(H,24,29);3-6H,1-2H3,(H,15,19);1H,2H2,(H,10,12)/t8-;6-;/m11./s1
• InChIKey: MYRBGEMJJGZPRP-VWQGBLJASA-N
• XLogP: 6.95
• TPSA: 266.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.44
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate?

The IUPAC name of 6-bromo-7-fluoro-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate (CID 163793268) is 6-bromo-7-fluoro-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate.

What is the SMILES notation for 6-bromo-7-fluoro-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate?

The canonical SMILES for 6-bromo-7-fluoro-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate is C[C@@H](OC(=O)Nc1c(-c2nc3c(cc2F)NC(=O)CO3)nnn1C)c1cccnc1Cl.C[C@@H](OC(=O)Nc1c(Br)nnn1C)c1cccnc1Cl.O=C1COc2nc(Br)c(F)cc2N1.

What is the InChIKey of 6-bromo-7-fluoro-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate?

The InChIKey is MYRBGEMJJGZPRP-VWQGBLJASA-N. The full InChI is InChI=1S/C18H15ClFN7O4.C11H11BrClN5O2.C7H4BrFN2O2/c1-8(9-4-3-5-21-15(9)19)31-18(29)24-16-14(25-26-27(16)2)13-10(20)6-11-17(23-13)30-7-12(28)22-11;1-6(7-4-3-5-14-9(7)13)20-11(19)15-10-8(12)16-17-18(10)2;8-6-3(9)1-4-7(11-6)13-2-5(12)10-4/h3-6,8H,7H2,1-2H3,(H,22,28)(H,24,29);3-6H,1-2H3,(H,15,19);1H,2H2,(H,10,12)/t8-;6-;/m11./s1.

What are the key properties of 6-bromo-7-fluoro-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate?

6-bromo-7-fluoro-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate has a molecular weight of 1055.44 g/mol, XLogP of 6.95, 7 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-7-fluoro-1H-pyrido[2,3-b][1,4]oxazin-2-one;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-(5-bromo-3-methyltriazol-4-yl)carbamate;[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(7-fluoro-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)-3-methyltriazol-4-yl]carbamate is sourced from PubChem (CID 163793268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).