2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol

C80H71BrCl6N32O23S4 — CID 159391752

IUPAC2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol
SMILESC#CCO.C[C@@H](OC(=O)Nc1c(-c2ccc(N)cn2)nnn1C)c1cc(Cl)sc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc(NS(C)(=O)=O)cn2)nnn1C)c1cc(Cl)sc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc([N+](=O)[O-])cn2)nnn1C)c1cc(Cl)sc1Cl.Cn1nnc(-c2ccc([N+](=O)[O-])cn2)c1C(=O)O.Cn1nnc(-c2ccc([N+](=O)[O-])cn2)c1CO.O=[N+]([O-])c1ccc(Br)nc1.O=[N+]([O-])c1ccc(C#CCO)nc1
InChIInChI=1S/C16H16Cl2N6O4S2.C15H12Cl2N6O4S.C15H14Cl2N6O2S.C9H7N5O4.C9H9N5O3.C8H6N2O3.C5H3BrN2O2.C3H4O/c1-8(10-6-12(17)29-14(10)18)28-16(25)20-15-13(21-23-24(15)2)11-5-4-9(7-19-11)22-30(3,26)27;1-7(9-5-11(16)28-13(9)17)27-15(24)19-14-12(20-21-22(14)2)10-4-3-8(6-18-10)23(25)26;1-7(9-5-11(16)26-13(9)17)25-15(24)20-14-12(21-22-23(14)2)10-4-3-8(18)6-19-10;1-13-8(9(15)16)7(11-12-13)6-3-2-5(4-10-6)14(17)18;1-13-8(5-15)9(11-12-13)7-3-2-6(4-10-7)14(16)17;11-5-1-2-7-3-4-8(6-9-7)10(12)13;6-5-2-1-4(3-7-5)8(9)10;1-2-3-4/h4-8,22H,1-3H3,(H,20,25);3-7H,1-2H3,(H,19,24);3-7H,18H2,1-2H3,(H,20,24);2-4H,1H3,(H,15,16);2-4,15H,5H2,1H3;3-4,6,11H,5H2;1-3H;1,4H,3H2/t8-;2*7-;;;;;/m111...../s1
InChIKeyLMEWVOHXXTYXQU-PCIJUELDSA-N
MW2269.54 g/mol
LogP14.99
Rot. Bonds23

About 2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol

2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol (PubChem CID 159391752) has the molecular formula C80H71BrCl6N32O23S4 and a molecular weight of 2269.54 g/mol. Its IUPAC name is 2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol.

Molecular Properties

Compound Name2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol
PubChem CID159391752
Molecular FormulaC80H71BrCl6N32O23S4
Molecular Weight2269.54 g/mol
Exact Mass2264.16
IUPAC Name2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol
SMILESC#CCO.C[C@@H](OC(=O)Nc1c(-c2ccc(N)cn2)nnn1C)c1cc(Cl)sc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc(NS(C)(=O)=O)cn2)nnn1C)c1cc(Cl)sc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc([N+](=O)[O-])cn2)nnn1C)c1cc(Cl)sc1Cl.Cn1nnc(-c2ccc([N+](=O)[O-])cn2)c1C(=O)O.Cn1nnc(-c2ccc([N+](=O)[O-])cn2)c1CO.O=[N+]([O-])c1ccc(Br)nc1.O=[N+]([O-])c1ccc(C#CCO)nc1
InChIInChI=1S/C16H16Cl2N6O4S2.C15H12Cl2N6O4S.C15H14Cl2N6O2S.C9H7N5O4.C9H9N5O3.C8H6N2O3.C5H3BrN2O2.C3H4O/c1-8(10-6-12(17)29-14(10)18)28-16(25)20-15-13(21-23-24(15)2)11-5-4-9(7-19-11)22-30(3,26)27;1-7(9-5-11(16)28-13(9)17)27-15(24)19-14-12(20-21-22(14)2)10-4-3-8(6-18-10)23(25)26;1-7(9-5-11(16)26-13(9)17)25-15(24)20-14-12(21-22-23(14)2)10-4-3-8(18)6-19-10;1-13-8(9(15)16)7(11-12-13)6-3-2-5(4-10-6)14(17)18;1-13-8(5-15)9(11-12-13)7-3-2-6(4-10-7)14(16)17;11-5-1-2-7-3-4-8(6-9-7)10(12)13;6-5-2-1-4(3-7-5)8(9)10;1-2-3-4/h4-8,22H,1-3H3,(H,20,25);3-7H,1-2H3,(H,19,24);3-7H,18H2,1-2H3,(H,20,24);2-4H,1H3,(H,15,16);2-4,15H,5H2,1H3;3-4,6,11H,5H2;1-3H;1,4H,3H2/t8-;2*7-;;;;;/m111...../s1
InChIKeyLMEWVOHXXTYXQU-PCIJUELDSA-N
XLogP14.99
TPSA744.65 Ų
H-Bond Donors9
H-Bond Acceptors48
Rotatable Bonds23
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002269.54
LogP ≤ 514.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol?
The IUPAC name of 2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol (CID 159391752) is 2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol.
What is the SMILES notation for 2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol?
The canonical SMILES for 2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol is C#CCO.C[C@@H](OC(=O)Nc1c(-c2ccc(N)cn2)nnn1C)c1cc(Cl)sc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc(NS(C)(=O)=O)cn2)nnn1C)c1cc(Cl)sc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc([N+](=O)[O-])cn2)nnn1C)c1cc(Cl)sc1Cl.Cn1nnc(-c2ccc([N+](=O)[O-])cn2)c1C(=O)O.Cn1nnc(-c2ccc([N+](=O)[O-])cn2)c1CO.O=[N+]([O-])c1ccc(Br)nc1.O=[N+]([O-])c1ccc(C#CCO)nc1.
What is the InChIKey of 2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol?
The InChIKey is LMEWVOHXXTYXQU-PCIJUELDSA-N. The full InChI is InChI=1S/C16H16Cl2N6O4S2.C15H12Cl2N6O4S.C15H14Cl2N6O2S.C9H7N5O4.C9H9N5O3.C8H6N2O3.C5H3BrN2O2.C3H4O/c1-8(10-6-12(17)29-14(10)18)28-16(25)20-15-13(21-23-24(15)2)11-5-4-9(7-19-11)22-30(3,26)27;1-7(9-5-11(16)28-13(9)17)27-15(24)19-14-12(20-21-22(14)2)10-4-3-8(6-18-10)23(25)26;1-7(9-5-11(16)26-13(9)17)25-15(24)20-14-12(21-22-23(14)2)10-4-3-8(18)6-19-10;1-13-8(9(15)16)7(11-12-13)6-3-2-5(4-10-6)14(17)18;1-13-8(5-15)9(11-12-13)7-3-2-6(4-10-7)14(16)17;11-5-1-2-7-3-4-8(6-9-7)10(12)13;6-5-2-1-4(3-7-5)8(9)10;1-2-3-4/h4-8,22H,1-3H3,(H,20,25);3-7H,1-2H3,(H,19,24);3-7H,18H2,1-2H3,(H,20,24);2-4H,1H3,(H,15,16);2-4,15H,5H2,1H3;3-4,6,11H,5H2;1-3H;1,4H,3H2/t8-;2*7-;;;;;/m111...../s1.
What are the key properties of 2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol?
2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol has a molecular weight of 2269.54 g/mol, XLogP of 14.99, 23 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-nitropyridine;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,5-dichlorothiophen-3-yl)ethyl] N-[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]carbamate;3-methyl-5-(5-nitro-2-pyridinyl)triazole-4-carboxylic acid;[3-methyl-5-(5-nitro-2-pyridinyl)triazol-4-yl]methanol;3-(5-nitro-2-pyridinyl)prop-2-yn-1-ol;prop-2-yn-1-ol is sourced from PubChem (CID 159391752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).