4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;3-bromo-7-chloro-1,6-naphthyridine;2-bromo-1,1-dimethoxyethane;N,7-dimethyl-1,6-naphthyridine-3-carboxamide;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 7-chloro-1,6-naphthyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 7-methyl-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;7-methyl-1,6-naphthyridine-3-carboxylic acid

C108H109Br2Cl8N21O19 — CID 159905923

About 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;3-bromo-7-chloro-1,6-naphthyridine;2-bromo-1,1-dimethoxyethane;N,7-dimethyl-1,6-naphthyridine-3-carboxamide;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 7-chloro-1,6-naphthyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 7-methyl-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;7-methyl-1,6-naphthyridine-3-carboxylic acid

4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;3-bromo-7-chloro-1,6-naphthyridine;2-bromo-1,1-dimethoxyethane;N,7-dimethyl-1,6-naphthyridine-3-carboxamide;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 7-chloro-1,6-naphthyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 7-methyl-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;7-methyl-1,6-naphthyridine-3-carboxylic acid (PubChem CID 159905923) has the molecular formula C108H109Br2Cl8N21O19 and a molecular weight of 2448.62 g/mol. Its IUPAC name is 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;3-bromo-7-chloro-1,6-naphthyridine;2-bromo-1,1-dimethoxyethane;N,7-dimethyl-1,6-naphthyridine-3-carboxamide;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 7-chloro-1,6-naphthyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 7-methyl-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;7-methyl-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;3-bromo-7-chloro-1,6-naphthyridine;2-bromo-1,1-dimethoxyethane;N,7-dimethyl-1,6-naphthyridine-3-carboxamide;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 7-chloro-1,6-naphthyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 7-methyl-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;7-methyl-1,6-naphthyridine-3-carboxylic acid
• PubChem CID: 159905923
• Molecular Formula: C108H109Br2Cl8N21O19
• Molecular Weight: 2448.62 g/mol
• Exact Mass: 2441.41
• IUPAC Name: 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;3-bromo-7-chloro-1,6-naphthyridine;2-bromo-1,1-dimethoxyethane;N,7-dimethyl-1,6-naphthyridine-3-carboxamide;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 7-chloro-1,6-naphthyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 7-methyl-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;7-methyl-1,6-naphthyridine-3-carboxylic acid
• SMILES: CCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1N.CCOC(=O)c1cnc(Cl)cc1NCc1ccc(OC)cc1.CCOC(=O)c1cnc2cc(C)ncc2c1.CCOC(=O)c1cnc2cc(Cl)ncc2c1.CNC(=O)c1cnc2cc(C)ncc2c1.COC(CBr)OC.COc1ccc(CN)cc1.Cc1cc2ncc(C(=O)O)cc2cn1.Clc1cc2ncc(Br)cc2cn1.Nc1cc(Cl)ncc1C=O.Nc1cc(Cl)ncc1CO
• InChI: InChI=1S/C16H17ClN2O3.C12H12N2O2.C11H9ClN2O2.C11H11N3O.C10H8N2O2.C8H4BrClN2.C8H7Cl2NO2.C8H9ClN2O2.C8H11NO.C6H7ClN2O.C6H5ClN2O.C4H9BrO2/c1-3-22-16(20)13-10-19-15(17)8-14(13)18-9-11-4-6-12(21-2)7-5-11;1-3-16-12(15)10-5-9-6-13-8(2)4-11(9)14-7-10;1-2-16-11(15)8-3-7-5-14-10(12)4-9(7)13-6-8;1-7-3-10-8(5-13-7)4-9(6-14-10)11(15)12-2;1-6-2-9-7(4-11-6)3-8(5-12-9)10(13)14;9-6-1-5-3-12-8(10)2-7(5)11-4-6;1-2-13-8(12)5-4-11-7(10)3-6(5)9;1-2-13-8(12)5-4-11-7(9)3-6(5)10;1-10-8-4-2-7(6-9)3-5-8;2*7-6-1-5(8)4(3-10)2-9-6;1-6-4(3-5)7-2/h4-8,10H,3,9H2,1-2H3,(H,18,19);4-7H,3H2,1-2H3;3-6H,2H2,1H3;3-6H,1-2H3,(H,12,15);2-5H,1H3,(H,13,14);1-4H;3-4H,2H2,1H3;3-4H,2H2,1H3,(H2,10,11);2-5H,6,9H2,1H3;1-2,10H,3H2,(H2,8,9);1-3H,(H2,8,9);4H,3H2,1-2H3
• InChIKey: NWOKOTQDOCAZTD-UHFFFAOYSA-N
• XLogP: 22.24
• TPSA: 581.58 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2448.62
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	8
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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;3-bromo-7-chloro-1,6-naphthyridine;2-bromo-1,1-dimethoxyethane;N,7-dimethyl-1,6-naphthyridine-3-carboxamide;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 7-chloro-1,6-naphthyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 7-methyl-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;7-methyl-1,6-naphthyridine-3-carboxylic acid?

The IUPAC name of 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;3-bromo-7-chloro-1,6-naphthyridine;2-bromo-1,1-dimethoxyethane;N,7-dimethyl-1,6-naphthyridine-3-carboxamide;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 7-chloro-1,6-naphthyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 7-methyl-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;7-methyl-1,6-naphthyridine-3-carboxylic acid (CID 159905923) is 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;3-bromo-7-chloro-1,6-naphthyridine;2-bromo-1,1-dimethoxyethane;N,7-dimethyl-1,6-naphthyridine-3-carboxamide;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 7-chloro-1,6-naphthyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 7-methyl-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;7-methyl-1,6-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;3-bromo-7-chloro-1,6-naphthyridine;2-bromo-1,1-dimethoxyethane;N,7-dimethyl-1,6-naphthyridine-3-carboxamide;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 7-chloro-1,6-naphthyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 7-methyl-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;7-methyl-1,6-naphthyridine-3-carboxylic acid?

The canonical SMILES for 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;3-bromo-7-chloro-1,6-naphthyridine;2-bromo-1,1-dimethoxyethane;N,7-dimethyl-1,6-naphthyridine-3-carboxamide;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 7-chloro-1,6-naphthyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 7-methyl-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;7-methyl-1,6-naphthyridine-3-carboxylic acid is CCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1N.CCOC(=O)c1cnc(Cl)cc1NCc1ccc(OC)cc1.CCOC(=O)c1cnc2cc(C)ncc2c1.CCOC(=O)c1cnc2cc(Cl)ncc2c1.CNC(=O)c1cnc2cc(C)ncc2c1.COC(CBr)OC.COc1ccc(CN)cc1.Cc1cc2ncc(C(=O)O)cc2cn1.Clc1cc2ncc(Br)cc2cn1.Nc1cc(Cl)ncc1C=O.Nc1cc(Cl)ncc1CO.

What is the InChIKey of 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;3-bromo-7-chloro-1,6-naphthyridine;2-bromo-1,1-dimethoxyethane;N,7-dimethyl-1,6-naphthyridine-3-carboxamide;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 7-chloro-1,6-naphthyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 7-methyl-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;7-methyl-1,6-naphthyridine-3-carboxylic acid?

The InChIKey is NWOKOTQDOCAZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3.C12H12N2O2.C11H9ClN2O2.C11H11N3O.C10H8N2O2.C8H4BrClN2.C8H7Cl2NO2.C8H9ClN2O2.C8H11NO.C6H7ClN2O.C6H5ClN2O.C4H9BrO2/c1-3-22-16(20)13-10-19-15(17)8-14(13)18-9-11-4-6-12(21-2)7-5-11;1-3-16-12(15)10-5-9-6-13-8(2)4-11(9)14-7-10;1-2-16-11(15)8-3-7-5-14-10(12)4-9(7)13-6-8;1-7-3-10-8(5-13-7)4-9(6-14-10)11(15)12-2;1-6-2-9-7(4-11-6)3-8(5-12-9)10(13)14;9-6-1-5-3-12-8(10)2-7(5)11-4-6;1-2-13-8(12)5-4-11-7(10)3-6(5)9;1-2-13-8(12)5-4-11-7(9)3-6(5)10;1-10-8-4-2-7(6-9)3-5-8;2*7-6-1-5(8)4(3-10)2-9-6;1-6-4(3-5)7-2/h4-8,10H,3,9H2,1-2H3,(H,18,19);4-7H,3H2,1-2H3;3-6H,2H2,1H3;3-6H,1-2H3,(H,12,15);2-5H,1H3,(H,13,14);1-4H;3-4H,2H2,1H3;3-4H,2H2,1H3,(H2,10,11);2-5H,6,9H2,1H3;1-2,10H,3H2,(H2,8,9);1-3H,(H2,8,9);4H,3H2,1-2H3.

What are the key properties of 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;3-bromo-7-chloro-1,6-naphthyridine;2-bromo-1,1-dimethoxyethane;N,7-dimethyl-1,6-naphthyridine-3-carboxamide;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 7-chloro-1,6-naphthyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 7-methyl-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;7-methyl-1,6-naphthyridine-3-carboxylic acid?

4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;3-bromo-7-chloro-1,6-naphthyridine;2-bromo-1,1-dimethoxyethane;N,7-dimethyl-1,6-naphthyridine-3-carboxamide;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 7-chloro-1,6-naphthyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 7-methyl-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;7-methyl-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 2448.62 g/mol, XLogP of 22.24, 23 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;3-bromo-7-chloro-1,6-naphthyridine;2-bromo-1,1-dimethoxyethane;N,7-dimethyl-1,6-naphthyridine-3-carboxamide;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 7-chloro-1,6-naphthyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 7-methyl-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;7-methyl-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 159905923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).