(3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid

C69H82Br4Cl2F2N24O19S3 — CID 160909047

About (3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid

(3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid (PubChem CID 160909047) has the molecular formula C69H82Br4Cl2F2N24O19S3 and a molecular weight of 2076.28 g/mol. Its IUPAC name is (3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid.

Molecular Properties

• Compound Name: (3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid
• PubChem CID: 160909047
• Molecular Formula: C69H82Br4Cl2F2N24O19S3
• Molecular Weight: 2076.28 g/mol
• Exact Mass: 2070.14
• IUPAC Name: (3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid
• SMILES: COCc1nc(-c2nnn(C)c2C(=O)O)ccc1NS(C)(=O)=O.COCc1nc(-c2nnn(C)c2NC(=O)O[C@H](C)c2cc(F)cnc2Cl)ccc1NS(C)(=O)=O.COCc1nc(Br)ccc1N.COCc1nc(Br)ccc1NS(C)(=O)=O.C[C@@H](O)c1cc(F)cnc1Cl.Cn1nnc(Br)c1C(=O)O.Nc1ccc(Br)nc1CO.Nc1cccnc1CO
• InChI: InChI=1S/C19H21ClFN7O5S.C12H15N5O5S.C8H11BrN2O3S.C7H9BrN2O.C7H7ClFNO.C6H7BrN2O.C6H8N2O.C4H4BrN3O2/c1-10(12-7-11(21)8-22-17(12)20)33-19(29)24-18-16(25-27-28(18)2)14-6-5-13(26-34(4,30)31)15(23-14)9-32-3;1-17-11(12(18)19)10(14-16-17)8-5-4-7(15-23(3,20)21)9(13-8)6-22-2;1-14-5-7-6(11-15(2,12)13)3-4-8(9)10-7;1-11-4-6-5(9)2-3-7(8)10-6;1-4(11)6-2-5(9)3-10-7(6)8;7-6-2-1-4(8)5(3-10)9-6;7-5-2-1-3-8-6(5)4-9;1-8-2(4(9)10)3(5)6-7-8/h5-8,10,26H,9H2,1-4H3,(H,24,29);4-5,15H,6H2,1-3H3,(H,18,19);3-4,11H,5H2,1-2H3;2-3H,4,9H2,1H3;2-4,11H,1H3;1-2,10H,3,8H2;1-3,9H,4,7H2;1H3,(H,9,10)/t10-;;;;4-;;;/m1...1.../s1
• InChIKey: SQNLGWZQIZABBU-PETXADELSA-N
• XLogP: 9.20
• TPSA: 622.36 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2076.28
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid?

The IUPAC name of (3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid (CID 160909047) is (3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid.

What is the SMILES notation for (3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid?

The canonical SMILES for (3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid is COCc1nc(-c2nnn(C)c2C(=O)O)ccc1NS(C)(=O)=O.COCc1nc(-c2nnn(C)c2NC(=O)O[C@H](C)c2cc(F)cnc2Cl)ccc1NS(C)(=O)=O.COCc1nc(Br)ccc1N.COCc1nc(Br)ccc1NS(C)(=O)=O.C[C@@H](O)c1cc(F)cnc1Cl.Cn1nnc(Br)c1C(=O)O.Nc1ccc(Br)nc1CO.Nc1cccnc1CO.

What is the InChIKey of (3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid?

The InChIKey is SQNLGWZQIZABBU-PETXADELSA-N. The full InChI is InChI=1S/C19H21ClFN7O5S.C12H15N5O5S.C8H11BrN2O3S.C7H9BrN2O.C7H7ClFNO.C6H7BrN2O.C6H8N2O.C4H4BrN3O2/c1-10(12-7-11(21)8-22-17(12)20)33-19(29)24-18-16(25-27-28(18)2)14-6-5-13(26-34(4,30)31)15(23-14)9-32-3;1-17-11(12(18)19)10(14-16-17)8-5-4-7(15-23(3,20)21)9(13-8)6-22-2;1-14-5-7-6(11-15(2,12)13)3-4-8(9)10-7;1-11-4-6-5(9)2-3-7(8)10-6;1-4(11)6-2-5(9)3-10-7(6)8;7-6-2-1-4(8)5(3-10)9-6;7-5-2-1-3-8-6(5)4-9;1-8-2(4(9)10)3(5)6-7-8/h5-8,10,26H,9H2,1-4H3,(H,24,29);4-5,15H,6H2,1-3H3,(H,18,19);3-4,11H,5H2,1-2H3;2-3H,4,9H2,1H3;2-4,11H,1H3;1-2,10H,3,8H2;1-3,9H,4,7H2;1H3,(H,9,10)/t10-;;;;4-;;;/m1...1.../s1.

What are the key properties of (3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid?

(3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid has a molecular weight of 2076.28 g/mol, XLogP of 9.20, 24 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid is sourced from PubChem (CID 160909047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).