2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate

C61H57Br2Cl8N11O13 — CID 160946525

IUPAC2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate
SMILESCC(C)(C)OC(=O)Nc1nccc(Cl)c1C=O.COC(=O)CC(=O)Cl.COC(=O)CC(=O)NCc1ccc(Cl)cc1.NCc1ccc(Cl)cc1.Nc1ncc(Br)c(Cl)c1C=O.Nc1nccc(Cl)c1C=O.O=C(NCc1ccc(Cl)cc1)c1cc2c(Cl)c(Br)cnc2[nH]c1=O
InChIInChI=1S/C16H10BrCl2N3O2.C11H13ClN2O3.C11H12ClNO3.C7H8ClN.C6H4BrClN2O.C6H5ClN2O.C4H5ClO3/c17-12-7-20-14-10(13(12)19)5-11(16(24)22-14)15(23)21-6-8-1-3-9(18)4-2-8;1-11(2,3)17-10(16)14-9-7(6-15)8(12)4-5-13-9;1-16-11(15)6-10(14)13-7-8-2-4-9(12)5-3-8;8-7-3-1-6(5-9)2-4-7;7-4-1-10-6(9)3(2-11)5(4)8;7-5-1-2-9-6(8)4(5)3-10;1-8-4(7)2-3(5)6/h1-5,7H,6H2,(H,21,23)(H,20,22,24);4-6H,1-3H3,(H,13,14,16);2-5H,6-7H2,1H3,(H,13,14);1-4H,5,9H2;1-2H,(H2,9,10);1-3H,(H2,8,9);2H2,1H3
InChIKeySVENAJYHEHJNIH-UHFFFAOYSA-N
MW1595.62 g/mol
LogP13.47
Rot. Bonds14

About 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate

2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate (PubChem CID 160946525) has the molecular formula C61H57Br2Cl8N11O13 and a molecular weight of 1595.62 g/mol. Its IUPAC name is 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate.

Molecular Properties

Compound Name2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate
PubChem CID160946525
Molecular FormulaC61H57Br2Cl8N11O13
Molecular Weight1595.62 g/mol
Exact Mass1589.00
IUPAC Name2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate
SMILESCC(C)(C)OC(=O)Nc1nccc(Cl)c1C=O.COC(=O)CC(=O)Cl.COC(=O)CC(=O)NCc1ccc(Cl)cc1.NCc1ccc(Cl)cc1.Nc1ncc(Br)c(Cl)c1C=O.Nc1nccc(Cl)c1C=O.O=C(NCc1ccc(Cl)cc1)c1cc2c(Cl)c(Br)cnc2[nH]c1=O
InChIInChI=1S/C16H10BrCl2N3O2.C11H13ClN2O3.C11H12ClNO3.C7H8ClN.C6H4BrClN2O.C6H5ClN2O.C4H5ClO3/c17-12-7-20-14-10(13(12)19)5-11(16(24)22-14)15(23)21-6-8-1-3-9(18)4-2-8;1-11(2,3)17-10(16)14-9-7(6-15)8(12)4-5-13-9;1-16-11(15)6-10(14)13-7-8-2-4-9(12)5-3-8;8-7-3-1-6(5-9)2-4-7;7-4-1-10-6(9)3(2-11)5(4)8;7-5-1-2-9-6(8)4(5)3-10;1-8-4(7)2-3(5)6/h1-5,7H,6H2,(H,21,23)(H,20,22,24);4-6H,1-3H3,(H,13,14,16);2-5H,6-7H2,1H3,(H,13,14);1-4H,5,9H2;1-2H,(H2,9,10);1-3H,(H2,8,9);2H2,1H3
InChIKeySVENAJYHEHJNIH-UHFFFAOYSA-N
XLogP13.47
TPSA379.89 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001595.62
LogP ≤ 513.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate?
The IUPAC name of 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate (CID 160946525) is 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate.
What is the SMILES notation for 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate?
The canonical SMILES for 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate is CC(C)(C)OC(=O)Nc1nccc(Cl)c1C=O.COC(=O)CC(=O)Cl.COC(=O)CC(=O)NCc1ccc(Cl)cc1.NCc1ccc(Cl)cc1.Nc1ncc(Br)c(Cl)c1C=O.Nc1nccc(Cl)c1C=O.O=C(NCc1ccc(Cl)cc1)c1cc2c(Cl)c(Br)cnc2[nH]c1=O.
What is the InChIKey of 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate?
The InChIKey is SVENAJYHEHJNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2N3O2.C11H13ClN2O3.C11H12ClNO3.C7H8ClN.C6H4BrClN2O.C6H5ClN2O.C4H5ClO3/c17-12-7-20-14-10(13(12)19)5-11(16(24)22-14)15(23)21-6-8-1-3-9(18)4-2-8;1-11(2,3)17-10(16)14-9-7(6-15)8(12)4-5-13-9;1-16-11(15)6-10(14)13-7-8-2-4-9(12)5-3-8;8-7-3-1-6(5-9)2-4-7;7-4-1-10-6(9)3(2-11)5(4)8;7-5-1-2-9-6(8)4(5)3-10;1-8-4(7)2-3(5)6/h1-5,7H,6H2,(H,21,23)(H,20,22,24);4-6H,1-3H3,(H,13,14,16);2-5H,6-7H2,1H3,(H,13,14);1-4H,5,9H2;1-2H,(H2,9,10);1-3H,(H2,8,9);2H2,1H3.
What are the key properties of 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate?
2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate has a molecular weight of 1595.62 g/mol, XLogP of 13.47, 14 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-chloropyridine-3-carbaldehyde;2-amino-4-chloropyridine-3-carbaldehyde;6-bromo-5-chloro-N-[(4-chlorophenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide;tert-butyl N-(4-chloro-3-formyl-2-pyridinyl)carbamate;(4-chlorophenyl)methanamine;methyl 3-chloro-3-oxopropanoate;methyl 3-[(4-chlorophenyl)methylamino]-3-oxopropanoate is sourced from PubChem (CID 160946525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).