2-(bromomethyl)benzonitrile;tert-butyl N-[(3R)-1-[3-amino-6-methyl-2-(methylamino)-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1,6-dimethyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[6-methyl-2-(methylamino)-3-nitro-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;2,4-dichloro-6-methyl-3-nitropyridine;N,N-dimethylaniline;4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one;methanamine;phosphoryl trichloride

C103H149BrCl6N27O22P — CID 157385666

About 2-(bromomethyl)benzonitrile;tert-butyl N-[(3R)-1-[3-amino-6-methyl-2-(methylamino)-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1,6-dimethyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[6-methyl-2-(methylamino)-3-nitro-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;2,4-dichloro-6-methyl-3-nitropyridine;N,N-dimethylaniline;4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one;methanamine;phosphoryl trichloride

2-(bromomethyl)benzonitrile;tert-butyl N-[(3R)-1-[3-amino-6-methyl-2-(methylamino)-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1,6-dimethyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[6-methyl-2-(methylamino)-3-nitro-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;2,4-dichloro-6-methyl-3-nitropyridine;N,N-dimethylaniline;4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one;methanamine;phosphoryl trichloride (PubChem CID 157385666) has the molecular formula C103H149BrCl6N27O22P and a molecular weight of 2441.09 g/mol. Its IUPAC name is 2-(bromomethyl)benzonitrile;tert-butyl N-[(3R)-1-[3-amino-6-methyl-2-(methylamino)-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1,6-dimethyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[6-methyl-2-(methylamino)-3-nitro-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;2,4-dichloro-6-methyl-3-nitropyridine;N,N-dimethylaniline;4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one;methanamine;phosphoryl trichloride.

Molecular Properties

• Compound Name: 2-(bromomethyl)benzonitrile;tert-butyl N-[(3R)-1-[3-amino-6-methyl-2-(methylamino)-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1,6-dimethyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[6-methyl-2-(methylamino)-3-nitro-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;2,4-dichloro-6-methyl-3-nitropyridine;N,N-dimethylaniline;4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one;methanamine;phosphoryl trichloride
• PubChem CID: 157385666
• Molecular Formula: C103H149BrCl6N27O22P
• Molecular Weight: 2441.09 g/mol
• Exact Mass: 2435.84
• IUPAC Name: 2-(bromomethyl)benzonitrile;tert-butyl N-[(3R)-1-[3-amino-6-methyl-2-(methylamino)-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1,6-dimethyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[6-methyl-2-(methylamino)-3-nitro-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;2,4-dichloro-6-methyl-3-nitropyridine;N,N-dimethylaniline;4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one;methanamine;phosphoryl trichloride
• SMILES: CC(C)(C)OC(=O)N[C@@H]1CCNC1.CN.CN(C)c1ccccc1.CNc1nc(C)cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1N.CNc1nc(C)cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-].Cc1cc(Cl)c([N+](=O)[O-])c(Cl)n1.Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c(Cl)n1.Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c2c(n1)N(C)C(=O)C2.Cc1cc(O)c([N+](=O)[O-])c(=O)[nH]1.N#Cc1ccccc1CBr.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C18H26N4O3.C16H25N5O4.C16H27N5O2.C15H21ClN4O4.C9H18N2O2.C8H6BrN.C8H11N.C6H4Cl2N2O2.C6H6N2O4.CH5N.Cl3OP/c1-11-8-14(13-9-15(23)21(5)16(13)19-11)22-7-6-12(10-22)20-17(24)25-18(2,3)4;1-10-8-12(13(21(23)24)14(17-5)18-10)20-7-6-11(9-20)19-15(22)25-16(2,3)4;1-10-8-12(13(17)14(18-5)19-10)21-7-6-11(9-21)20-15(22)23-16(2,3)4;1-9-7-11(12(20(22)23)13(16)17-9)19-6-5-10(8-19)18-14(21)24-15(2,3)4;1-9(2,3)13-8(12)11-7-4-5-10-6-7;9-5-7-3-1-2-4-8(7)6-10;1-9(2)8-6-4-3-5-7-8;1-3-2-4(7)5(10(11)12)6(8)9-3;1-3-2-4(9)5(8(11)12)6(10)7-3;1-2;1-5(2,3)4/h8,12H,6-7,9-10H2,1-5H3,(H,20,24);8,11H,6-7,9H2,1-5H3,(H,17,18)(H,19,22);8,11H,6-7,9,17H2,1-5H3,(H,18,19)(H,20,22);7,10H,5-6,8H2,1-4H3,(H,18,21);7,10H,4-6H2,1-3H3,(H,11,12);1-4H,5H2;3-7H,1-2H3;2H,1H3;2H,1H3,(H2,7,9,10);2H2,1H3;/t12-;2*11-;10-;7-;;;;;;/m11111....../s1
• InChIKey: BLJZSCLLDKXRQB-QRLARJIZSA-N
• XLogP: 19.99
• TPSA: 647.25 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 17
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2441.09
LogP ≤ 5	19.99
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-(bromomethyl)benzonitrile;tert-butyl N-[(3R)-1-[3-amino-6-methyl-2-(methylamino)-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1,6-dimethyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[6-methyl-2-(methylamino)-3-nitro-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;2,4-dichloro-6-methyl-3-nitropyridine;N,N-dimethylaniline;4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one;methanamine;phosphoryl trichloride?

The IUPAC name of 2-(bromomethyl)benzonitrile;tert-butyl N-[(3R)-1-[3-amino-6-methyl-2-(methylamino)-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1,6-dimethyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[6-methyl-2-(methylamino)-3-nitro-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;2,4-dichloro-6-methyl-3-nitropyridine;N,N-dimethylaniline;4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one;methanamine;phosphoryl trichloride (CID 157385666) is 2-(bromomethyl)benzonitrile;tert-butyl N-[(3R)-1-[3-amino-6-methyl-2-(methylamino)-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1,6-dimethyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[6-methyl-2-(methylamino)-3-nitro-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;2,4-dichloro-6-methyl-3-nitropyridine;N,N-dimethylaniline;4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one;methanamine;phosphoryl trichloride.

What is the SMILES notation for 2-(bromomethyl)benzonitrile;tert-butyl N-[(3R)-1-[3-amino-6-methyl-2-(methylamino)-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1,6-dimethyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[6-methyl-2-(methylamino)-3-nitro-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;2,4-dichloro-6-methyl-3-nitropyridine;N,N-dimethylaniline;4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one;methanamine;phosphoryl trichloride?

The canonical SMILES for 2-(bromomethyl)benzonitrile;tert-butyl N-[(3R)-1-[3-amino-6-methyl-2-(methylamino)-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1,6-dimethyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[6-methyl-2-(methylamino)-3-nitro-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;2,4-dichloro-6-methyl-3-nitropyridine;N,N-dimethylaniline;4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one;methanamine;phosphoryl trichloride is CC(C)(C)OC(=O)N[C@@H]1CCNC1.CN.CN(C)c1ccccc1.CNc1nc(C)cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1N.CNc1nc(C)cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-].Cc1cc(Cl)c([N+](=O)[O-])c(Cl)n1.Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c(Cl)n1.Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c2c(n1)N(C)C(=O)C2.Cc1cc(O)c([N+](=O)[O-])c(=O)[nH]1.N#Cc1ccccc1CBr.O=P(Cl)(Cl)Cl.

What is the InChIKey of 2-(bromomethyl)benzonitrile;tert-butyl N-[(3R)-1-[3-amino-6-methyl-2-(methylamino)-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1,6-dimethyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[6-methyl-2-(methylamino)-3-nitro-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;2,4-dichloro-6-methyl-3-nitropyridine;N,N-dimethylaniline;4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one;methanamine;phosphoryl trichloride?

The InChIKey is BLJZSCLLDKXRQB-QRLARJIZSA-N. The full InChI is InChI=1S/C18H26N4O3.C16H25N5O4.C16H27N5O2.C15H21ClN4O4.C9H18N2O2.C8H6BrN.C8H11N.C6H4Cl2N2O2.C6H6N2O4.CH5N.Cl3OP/c1-11-8-14(13-9-15(23)21(5)16(13)19-11)22-7-6-12(10-22)20-17(24)25-18(2,3)4;1-10-8-12(13(21(23)24)14(17-5)18-10)20-7-6-11(9-20)19-15(22)25-16(2,3)4;1-10-8-12(13(17)14(18-5)19-10)21-7-6-11(9-21)20-15(22)23-16(2,3)4;1-9-7-11(12(20(22)23)13(16)17-9)19-6-5-10(8-19)18-14(21)24-15(2,3)4;1-9(2,3)13-8(12)11-7-4-5-10-6-7;9-5-7-3-1-2-4-8(7)6-10;1-9(2)8-6-4-3-5-7-8;1-3-2-4(7)5(10(11)12)6(8)9-3;1-3-2-4(9)5(8(11)12)6(10)7-3;1-2;1-5(2,3)4/h8,12H,6-7,9-10H2,1-5H3,(H,20,24);8,11H,6-7,9H2,1-5H3,(H,17,18)(H,19,22);8,11H,6-7,9,17H2,1-5H3,(H,18,19)(H,20,22);7,10H,5-6,8H2,1-4H3,(H,18,21);7,10H,4-6H2,1-3H3,(H,11,12);1-4H,5H2;3-7H,1-2H3;2H,1H3;2H,1H3,(H2,7,9,10);2H2,1H3;/t12-;2*11-;10-;7-;;;;;;/m11111....../s1.

What are the key properties of 2-(bromomethyl)benzonitrile;tert-butyl N-[(3R)-1-[3-amino-6-methyl-2-(methylamino)-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1,6-dimethyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[6-methyl-2-(methylamino)-3-nitro-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;2,4-dichloro-6-methyl-3-nitropyridine;N,N-dimethylaniline;4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one;methanamine;phosphoryl trichloride?

2-(bromomethyl)benzonitrile;tert-butyl N-[(3R)-1-[3-amino-6-methyl-2-(methylamino)-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1,6-dimethyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[6-methyl-2-(methylamino)-3-nitro-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;2,4-dichloro-6-methyl-3-nitropyridine;N,N-dimethylaniline;4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one;methanamine;phosphoryl trichloride has a molecular weight of 2441.09 g/mol, XLogP of 19.99, 17 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(bromomethyl)benzonitrile;tert-butyl N-[(3R)-1-[3-amino-6-methyl-2-(methylamino)-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1,6-dimethyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[6-methyl-2-(methylamino)-3-nitro-4-pyridinyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;2,4-dichloro-6-methyl-3-nitropyridine;N,N-dimethylaniline;4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one;methanamine;phosphoryl trichloride is sourced from PubChem (CID 157385666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).