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

C91H101BBr5IN10O14 — CID 161298074

IUPAC5-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
SMILESBrc1ccc(CN2CCOCC2)nc1.Brc1ccc(I)nc1.CC(C)(C)OC(=O)Nc1ccc(B(O)O)c2ccccc12.CC(C)(C)OC(=O)Nc1ccc(Br)c2ccccc12.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(Br)c2ccccc12.O=Cc1ccc(Br)cn1
InChIInChI=1S/C20H21N3O.C15H18BNO4.C15H16BrNO2.C10H13BrN2O.C10H8BrN.C10H18O5.C6H4BrNO.C5H3BrIN/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;1-15(2,3)21-14(18)17-13-9-8-12(16(19)20)10-6-4-5-7-11(10)13;1-15(2,3)19-14(18)17-13-9-8-12(16)10-6-4-5-7-11(10)13;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;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;7-5-1-2-6(4-9)8-3-5;6-4-1-2-5(7)8-3-4/h1-8,13H,9-12,14,21H2;4-9,19-20H,1-3H3,(H,17,18);4-9H,1-3H3,(H,17,18);1-2,7H,3-6,8H2;1-6H,12H2;1-6H3;1-4H;1-3H
InChIKeyVHFXHQXWGCCMID-UHFFFAOYSA-N
MW2096.10 g/mol
LogP21.97
Rot. Bonds9

About 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

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 (PubChem CID 161298074) has the molecular formula C91H101BBr5IN10O14 and a molecular weight of 2096.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID161298074
Molecular FormulaC91H101BBr5IN10O14
Molecular Weight2096.10 g/mol
Exact Mass2090.26
IUPAC Name5-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
SMILESBrc1ccc(CN2CCOCC2)nc1.Brc1ccc(I)nc1.CC(C)(C)OC(=O)Nc1ccc(B(O)O)c2ccccc12.CC(C)(C)OC(=O)Nc1ccc(Br)c2ccccc12.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(Br)c2ccccc12.O=Cc1ccc(Br)cn1
InChIInChI=1S/C20H21N3O.C15H18BNO4.C15H16BrNO2.C10H13BrN2O.C10H8BrN.C10H18O5.C6H4BrNO.C5H3BrIN/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;1-15(2,3)21-14(18)17-13-9-8-12(16(19)20)10-6-4-5-7-11(10)13;1-15(2,3)19-14(18)17-13-9-8-12(16)10-6-4-5-7-11(10)13;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;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;7-5-1-2-6(4-9)8-3-5;6-4-1-2-5(7)8-3-4/h1-8,13H,9-12,14,21H2;4-9,19-20H,1-3H3,(H,17,18);4-9H,1-3H3,(H,17,18);1-2,7H,3-6,8H2;1-6H,12H2;1-6H3;1-4H;1-3H
InChIKeyVHFXHQXWGCCMID-UHFFFAOYSA-N
XLogP21.97
TPSA324.56 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002096.10
LogP ≤ 521.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc(CN2CCOCC2)nc1.Brc1ccc(I)nc1.CC(C)(C)OC(=O)Nc1ccc(B(O)O)c2ccccc12.CC(C)(C)OC(=O)Nc1ccc(Br)c2ccccc12.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(Br)c2ccccc12.O=Cc1ccc(Br)cn1.
What is the InChIKey of 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?
The InChIKey is VHFXHQXWGCCMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.C15H18BNO4.C15H16BrNO2.C10H13BrN2O.C10H8BrN.C10H18O5.C6H4BrNO.C5H3BrIN/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;1-15(2,3)21-14(18)17-13-9-8-12(16(19)20)10-6-4-5-7-11(10)13;1-15(2,3)19-14(18)17-13-9-8-12(16)10-6-4-5-7-11(10)13;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;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;7-5-1-2-6(4-9)8-3-5;6-4-1-2-5(7)8-3-4/h1-8,13H,9-12,14,21H2;4-9,19-20H,1-3H3,(H,17,18);4-9H,1-3H3,(H,17,18);1-2,7H,3-6,8H2;1-6H,12H2;1-6H3;1-4H;1-3H.
What are the key properties of 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?
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 has a molecular weight of 2096.10 g/mol, XLogP of 21.97, 9 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161298074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).