2-bromo-3-nitropyridine;11-chloro-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(6-chloro-3-pyridinyl)-3-nitropyridine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;11-chloro-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(2-fluoroethoxy)aniline;N-[3-(2-fluoroethoxy)phenyl]-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;methane;triethyl phosphite

C81H84BBrCl4F2N17O11P — CID 158661147

About 2-bromo-3-nitropyridine;11-chloro-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(6-chloro-3-pyridinyl)-3-nitropyridine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;11-chloro-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(2-fluoroethoxy)aniline;N-[3-(2-fluoroethoxy)phenyl]-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;methane;triethyl phosphite

2-bromo-3-nitropyridine;11-chloro-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(6-chloro-3-pyridinyl)-3-nitropyridine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;11-chloro-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(2-fluoroethoxy)aniline;N-[3-(2-fluoroethoxy)phenyl]-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;methane;triethyl phosphite (PubChem CID 158661147) has the molecular formula C81H84BBrCl4F2N17O11P and a molecular weight of 1773.17 g/mol. Its IUPAC name is 2-bromo-3-nitropyridine;11-chloro-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(6-chloro-3-pyridinyl)-3-nitropyridine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;11-chloro-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(2-fluoroethoxy)aniline;N-[3-(2-fluoroethoxy)phenyl]-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;methane;triethyl phosphite.

Molecular Properties

• Compound Name: 2-bromo-3-nitropyridine;11-chloro-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(6-chloro-3-pyridinyl)-3-nitropyridine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;11-chloro-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(2-fluoroethoxy)aniline;N-[3-(2-fluoroethoxy)phenyl]-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;methane;triethyl phosphite
• PubChem CID: 158661147
• Molecular Formula: C81H84BBrCl4F2N17O11P
• Molecular Weight: 1773.17 g/mol
• Exact Mass: 1769.43
• IUPAC Name: 2-bromo-3-nitropyridine;11-chloro-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(6-chloro-3-pyridinyl)-3-nitropyridine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;11-chloro-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(2-fluoroethoxy)aniline;N-[3-(2-fluoroethoxy)phenyl]-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;methane;triethyl phosphite
• SMILES: C.CC1(C)OB(c2ccc(Cl)nc2)OC1(C)C.CCOP(OCC)OCC.Clc1ccc2c(n1)[nH]c1cccnc12.Cn1c2cccnc2c2ccc(Cl)nc21.Cn1c2cccnc2c2ccc(Nc3cccc(OCCF)c3)nc21.Nc1cccc(OCCF)c1.O=[N+]([O-])c1cccnc1-c1ccc(Cl)nc1.O=[N+]([O-])c1cccnc1Br
• InChI: InChI=1S/C19H17FN4O.C11H15BClNO2.C11H8ClN3.C10H6ClN3O2.C10H6ClN3.C8H10FNO.C6H15O3P.C5H3BrN2O2.CH4/c1-24-16-6-3-10-21-18(16)15-7-8-17(23-19(15)24)22-13-4-2-5-14(12-13)25-11-9-20;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-15-8-3-2-6-13-10(8)7-4-5-9(12)14-11(7)15;11-9-4-3-7(6-13-9)10-8(14(15)16)2-1-5-12-10;11-8-4-3-6-9-7(2-1-5-12-9)13-10(6)14-8;9-4-5-11-8-3-1-2-7(10)6-8;1-4-7-10(8-5-2)9-6-3;6-5-4(8(9)10)2-1-3-7-5;/h2-8,10,12H,9,11H2,1H3,(H,22,23);5-7H,1-4H3;2-6H,1H3;1-6H;1-5H,(H,13,14);1-3,6H,4-5,10H2;4-6H2,1-3H3;1-3H;1H4
• InChIKey: ICTVMIRMWDFHJZ-UHFFFAOYSA-N
• XLogP: 20.82
• TPSA: 343.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1773.17
LogP ≤ 5	20.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-nitropyridine;11-chloro-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(6-chloro-3-pyridinyl)-3-nitropyridine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;11-chloro-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(2-fluoroethoxy)aniline;N-[3-(2-fluoroethoxy)phenyl]-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;methane;triethyl phosphite?

The IUPAC name of 2-bromo-3-nitropyridine;11-chloro-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(6-chloro-3-pyridinyl)-3-nitropyridine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;11-chloro-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(2-fluoroethoxy)aniline;N-[3-(2-fluoroethoxy)phenyl]-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;methane;triethyl phosphite (CID 158661147) is 2-bromo-3-nitropyridine;11-chloro-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(6-chloro-3-pyridinyl)-3-nitropyridine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;11-chloro-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(2-fluoroethoxy)aniline;N-[3-(2-fluoroethoxy)phenyl]-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;methane;triethyl phosphite.

What is the SMILES notation for 2-bromo-3-nitropyridine;11-chloro-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(6-chloro-3-pyridinyl)-3-nitropyridine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;11-chloro-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(2-fluoroethoxy)aniline;N-[3-(2-fluoroethoxy)phenyl]-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;methane;triethyl phosphite?

The canonical SMILES for 2-bromo-3-nitropyridine;11-chloro-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(6-chloro-3-pyridinyl)-3-nitropyridine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;11-chloro-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(2-fluoroethoxy)aniline;N-[3-(2-fluoroethoxy)phenyl]-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;methane;triethyl phosphite is C.CC1(C)OB(c2ccc(Cl)nc2)OC1(C)C.CCOP(OCC)OCC.Clc1ccc2c(n1)[nH]c1cccnc12.Cn1c2cccnc2c2ccc(Cl)nc21.Cn1c2cccnc2c2ccc(Nc3cccc(OCCF)c3)nc21.Nc1cccc(OCCF)c1.O=[N+]([O-])c1cccnc1-c1ccc(Cl)nc1.O=[N+]([O-])c1cccnc1Br.

What is the InChIKey of 2-bromo-3-nitropyridine;11-chloro-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(6-chloro-3-pyridinyl)-3-nitropyridine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;11-chloro-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(2-fluoroethoxy)aniline;N-[3-(2-fluoroethoxy)phenyl]-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;methane;triethyl phosphite?

The InChIKey is ICTVMIRMWDFHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O.C11H15BClNO2.C11H8ClN3.C10H6ClN3O2.C10H6ClN3.C8H10FNO.C6H15O3P.C5H3BrN2O2.CH4/c1-24-16-6-3-10-21-18(16)15-7-8-17(23-19(15)24)22-13-4-2-5-14(12-13)25-11-9-20;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-15-8-3-2-6-13-10(8)7-4-5-9(12)14-11(7)15;11-9-4-3-7(6-13-9)10-8(14(15)16)2-1-5-12-10;11-8-4-3-6-9-7(2-1-5-12-9)13-10(6)14-8;9-4-5-11-8-3-1-2-7(10)6-8;1-4-7-10(8-5-2)9-6-3;6-5-4(8(9)10)2-1-3-7-5;/h2-8,10,12H,9,11H2,1H3,(H,22,23);5-7H,1-4H3;2-6H,1H3;1-6H;1-5H,(H,13,14);1-3,6H,4-5,10H2;4-6H2,1-3H3;1-3H;1H4.

What are the key properties of 2-bromo-3-nitropyridine;11-chloro-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(6-chloro-3-pyridinyl)-3-nitropyridine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;11-chloro-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(2-fluoroethoxy)aniline;N-[3-(2-fluoroethoxy)phenyl]-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;methane;triethyl phosphite?

2-bromo-3-nitropyridine;11-chloro-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(6-chloro-3-pyridinyl)-3-nitropyridine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;11-chloro-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(2-fluoroethoxy)aniline;N-[3-(2-fluoroethoxy)phenyl]-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;methane;triethyl phosphite has a molecular weight of 1773.17 g/mol, XLogP of 20.82, 18 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-3-nitropyridine;11-chloro-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(6-chloro-3-pyridinyl)-3-nitropyridine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;11-chloro-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(2-fluoroethoxy)aniline;N-[3-(2-fluoroethoxy)phenyl]-8-methyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;methane;triethyl phosphite is sourced from PubChem (CID 158661147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).