1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine

C74H72BBr5N8O5 — CID 160881820

IUPAC1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
SMILESBrc1ccc(CN2CCOCC2)nc1.Cc1ccc(B(O)O)c2ccccc12.Cc1ccc(Br)c2ccccc12.Cc1ccc(Br)cn1.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(Br)c2ccccc12.O=Cc1ccc(Br)cn1
InChIInChI=1S/C20H21N3O.C11H11BO2.C11H9Br.C10H13BrN2O.C10H8BrN.C6H4BrNO.C6H6BrN/c21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10;1-8-6-7-11(12)10-5-3-2-4-9(8)10;11-9-1-2-10(12-7-9)8-13-3-5-14-6-4-13;11-9-5-6-10(12)8-4-2-1-3-7(8)9;7-5-1-2-6(4-9)8-3-5;1-5-2-3-6(7)4-8-5/h1-8,13H,9-12,14,21H2;2-7,13-14H,1H3;2-7H,1H3;1-2,7H,3-6,8H2;1-6H,12H2;1-4H;2-4H,1H3
InChIKeySNDBYJYNOVURMO-UHFFFAOYSA-N
MW1563.77 g/mol
LogP16.72
Rot. Bonds7

About 1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine

1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine (PubChem CID 160881820) has the molecular formula C74H72BBr5N8O5 and a molecular weight of 1563.77 g/mol. Its IUPAC name is 1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine.

Molecular Properties

Compound Name1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
PubChem CID160881820
Molecular FormulaC74H72BBr5N8O5
Molecular Weight1563.77 g/mol
Exact Mass1558.16
IUPAC Name1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
SMILESBrc1ccc(CN2CCOCC2)nc1.Cc1ccc(B(O)O)c2ccccc12.Cc1ccc(Br)c2ccccc12.Cc1ccc(Br)cn1.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(Br)c2ccccc12.O=Cc1ccc(Br)cn1
InChIInChI=1S/C20H21N3O.C11H11BO2.C11H9Br.C10H13BrN2O.C10H8BrN.C6H4BrNO.C6H6BrN/c21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10;1-8-6-7-11(12)10-5-3-2-4-9(8)10;11-9-1-2-10(12-7-9)8-13-3-5-14-6-4-13;11-9-5-6-10(12)8-4-2-1-3-7(8)9;7-5-1-2-6(4-9)8-3-5;1-5-2-3-6(7)4-8-5/h1-8,13H,9-12,14,21H2;2-7,13-14H,1H3;2-7H,1H3;1-2,7H,3-6,8H2;1-6H,12H2;1-4H;2-4H,1H3
InChIKeySNDBYJYNOVURMO-UHFFFAOYSA-N
XLogP16.72
TPSA186.07 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001563.77
LogP ≤ 516.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine with MolForge

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Related Compounds

CID 157127913
CID 157127913
5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
CID 157371711
4-bromo-N,N-bis(trimethylsilyl)naphthalen-1-amine;4-bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;hydron;bis(4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine)
CID 158556164
2-Amino-5-bromobenzaldehyde;6-bromo-2-[3,5-di(quinolin-4-yl)phenyl]quinoline;1-(3,5-dibromophenyl)ethanone;1-[3,5-di(quinolin-4-yl)phenyl]ethanone;2-(3-pyridin-3-ylphenyl)-6-[2-(3-quinolin-4-yl-5-quinolin-5-ylphenyl)quinolin-6-yl]quinoline;quinolin-4-ylboronic acid
CID 159016566
2-Amino-5-bromobenzaldehyde;2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline;1-[10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]ethanone;2-[10-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 159537374
CID 160318213
CID 160318213
4-Bromonaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;butyl-[6-(morpholin-4-ylmethyl)-3-pyridinyl]borinic acid;[6-(morpholin-4-ylmethyl)-3-pyridinyl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
CID 160577389
sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide
CID 160598365
5-bromo-2-iodopyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
CID 161298074
4-bromo-N-methylnaphthalen-1-amine;4-[(5-bromo-2-pyridinyl)methyl]morpholine;N-methyl-4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
CID 161356958
2-Amino-5-bromobenzaldehyde;2-(6-bromoquinolin-2-yl)-9-phenyl-1,10-phenanthroline;1-(9-phenyl-1,10-phenanthrolin-2-yl)ethanone;2-phenyl-9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 161638660
CID 162254180
CID 162254180

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?
The IUPAC name of 1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine (CID 160881820) is 1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine.
What is the SMILES notation for 1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?
The canonical SMILES for 1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine is Brc1ccc(CN2CCOCC2)nc1.Cc1ccc(B(O)O)c2ccccc12.Cc1ccc(Br)c2ccccc12.Cc1ccc(Br)cn1.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(Br)c2ccccc12.O=Cc1ccc(Br)cn1.
What is the InChIKey of 1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?
The InChIKey is SNDBYJYNOVURMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.C11H11BO2.C11H9Br.C10H13BrN2O.C10H8BrN.C6H4BrNO.C6H6BrN/c21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10;1-8-6-7-11(12)10-5-3-2-4-9(8)10;11-9-1-2-10(12-7-9)8-13-3-5-14-6-4-13;11-9-5-6-10(12)8-4-2-1-3-7(8)9;7-5-1-2-6(4-9)8-3-5;1-5-2-3-6(7)4-8-5/h1-8,13H,9-12,14,21H2;2-7,13-14H,1H3;2-7H,1H3;1-2,7H,3-6,8H2;1-6H,12H2;1-4H;2-4H,1H3.
What are the key properties of 1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?
1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine has a molecular weight of 1563.77 g/mol, XLogP of 16.72, 7 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methylnaphthalene;5-bromo-2-methylpyridine;4-bromonaphthalen-1-amine;5-bromopyridine-2-carbaldehyde;4-[(5-bromo-2-pyridinyl)methyl]morpholine;(4-methylnaphthalen-1-yl)boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine is sourced from PubChem (CID 160881820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).