2-aminoethanol;3-bromo-5-(bromomethyl)pyridine;4-[(5-bromo-3-pyridinyl)methyl]-2-methylmorpholin-3-one;ethyl 2-chloropropanoate;2-methyloxan-3-one;6-[5-[(2-methyl-3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C65H89BBr3ClN12O13 — CID 158134286

About 2-aminoethanol;3-bromo-5-(bromomethyl)pyridine;4-[(5-bromo-3-pyridinyl)methyl]-2-methylmorpholin-3-one;ethyl 2-chloropropanoate;2-methyloxan-3-one;6-[5-[(2-methyl-3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

2-aminoethanol;3-bromo-5-(bromomethyl)pyridine;4-[(5-bromo-3-pyridinyl)methyl]-2-methylmorpholin-3-one;ethyl 2-chloropropanoate;2-methyloxan-3-one;6-[5-[(2-methyl-3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 158134286) has the molecular formula C65H89BBr3ClN12O13 and a molecular weight of 1532.47 g/mol. Its IUPAC name is 2-aminoethanol;3-bromo-5-(bromomethyl)pyridine;4-[(5-bromo-3-pyridinyl)methyl]-2-methylmorpholin-3-one;ethyl 2-chloropropanoate;2-methyloxan-3-one;6-[5-[(2-methyl-3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 2-aminoethanol;3-bromo-5-(bromomethyl)pyridine;4-[(5-bromo-3-pyridinyl)methyl]-2-methylmorpholin-3-one;ethyl 2-chloropropanoate;2-methyloxan-3-one;6-[5-[(2-methyl-3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 158134286
• Molecular Formula: C65H89BBr3ClN12O13
• Molecular Weight: 1532.47 g/mol
• Exact Mass: 1528.40
• IUPAC Name: 2-aminoethanol;3-bromo-5-(bromomethyl)pyridine;4-[(5-bromo-3-pyridinyl)methyl]-2-methylmorpholin-3-one;ethyl 2-chloropropanoate;2-methyloxan-3-one;6-[5-[(2-methyl-3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: BrCc1cncc(Br)c1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.CC1OCCCC1=O.CC1OCCN(Cc2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)C1=O.CC1OCCN(Cc2cncc(Br)c2)C1=O.CCOC(=O)C(C)Cl.NCCO
• InChI: InChI=1S/C20H23N5O3.C15H22BN3O3.C11H13BrN2O2.C6H5Br2N.C6H10O2.C5H9ClO2.C2H7NO/c1-13-19(26)24(5-6-28-13)12-14-7-16(10-22-9-14)17-8-15-3-2-4-25(20(21)27)18(15)23-11-17;1-14(2)15(3,4)22-16(21-14)11-8-10-6-5-7-19(13(17)20)12(10)18-9-11;1-8-11(15)14(2-3-16-8)7-9-4-10(12)6-13-5-9;7-2-5-1-6(8)4-9-3-5;1-5-6(7)3-2-4-8-5;1-3-8-5(7)4(2)6;3-1-2-4/h7-11,13H,2-6,12H2,1H3,(H2,21,27);8-9H,5-7H2,1-4H3,(H2,17,20);4-6,8H,2-3,7H2,1H3;1,3-4H,2H2;5H,2-4H2,1H3;4H,3H2,1-2H3;4H,1-3H2
• InChIKey: FTDSVAFXVBISNW-UHFFFAOYSA-N
• XLogP: 8.13
• TPSA: 333.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1532.47
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;3-bromo-5-(bromomethyl)pyridine;4-[(5-bromo-3-pyridinyl)methyl]-2-methylmorpholin-3-one;ethyl 2-chloropropanoate;2-methyloxan-3-one;6-[5-[(2-methyl-3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of 2-aminoethanol;3-bromo-5-(bromomethyl)pyridine;4-[(5-bromo-3-pyridinyl)methyl]-2-methylmorpholin-3-one;ethyl 2-chloropropanoate;2-methyloxan-3-one;6-[5-[(2-methyl-3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 158134286) is 2-aminoethanol;3-bromo-5-(bromomethyl)pyridine;4-[(5-bromo-3-pyridinyl)methyl]-2-methylmorpholin-3-one;ethyl 2-chloropropanoate;2-methyloxan-3-one;6-[5-[(2-methyl-3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for 2-aminoethanol;3-bromo-5-(bromomethyl)pyridine;4-[(5-bromo-3-pyridinyl)methyl]-2-methylmorpholin-3-one;ethyl 2-chloropropanoate;2-methyloxan-3-one;6-[5-[(2-methyl-3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for 2-aminoethanol;3-bromo-5-(bromomethyl)pyridine;4-[(5-bromo-3-pyridinyl)methyl]-2-methylmorpholin-3-one;ethyl 2-chloropropanoate;2-methyloxan-3-one;6-[5-[(2-methyl-3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is BrCc1cncc(Br)c1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.CC1OCCCC1=O.CC1OCCN(Cc2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)C1=O.CC1OCCN(Cc2cncc(Br)c2)C1=O.CCOC(=O)C(C)Cl.NCCO.

What is the InChIKey of 2-aminoethanol;3-bromo-5-(bromomethyl)pyridine;4-[(5-bromo-3-pyridinyl)methyl]-2-methylmorpholin-3-one;ethyl 2-chloropropanoate;2-methyloxan-3-one;6-[5-[(2-methyl-3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is FTDSVAFXVBISNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3.C15H22BN3O3.C11H13BrN2O2.C6H5Br2N.C6H10O2.C5H9ClO2.C2H7NO/c1-13-19(26)24(5-6-28-13)12-14-7-16(10-22-9-14)17-8-15-3-2-4-25(20(21)27)18(15)23-11-17;1-14(2)15(3,4)22-16(21-14)11-8-10-6-5-7-19(13(17)20)12(10)18-9-11;1-8-11(15)14(2-3-16-8)7-9-4-10(12)6-13-5-9;7-2-5-1-6(8)4-9-3-5;1-5-6(7)3-2-4-8-5;1-3-8-5(7)4(2)6;3-1-2-4/h7-11,13H,2-6,12H2,1H3,(H2,21,27);8-9H,5-7H2,1-4H3,(H2,17,20);4-6,8H,2-3,7H2,1H3;1,3-4H,2H2;5H,2-4H2,1H3;4H,3H2,1-2H3;4H,1-3H2.

What are the key properties of 2-aminoethanol;3-bromo-5-(bromomethyl)pyridine;4-[(5-bromo-3-pyridinyl)methyl]-2-methylmorpholin-3-one;ethyl 2-chloropropanoate;2-methyloxan-3-one;6-[5-[(2-methyl-3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

2-aminoethanol;3-bromo-5-(bromomethyl)pyridine;4-[(5-bromo-3-pyridinyl)methyl]-2-methylmorpholin-3-one;ethyl 2-chloropropanoate;2-methyloxan-3-one;6-[5-[(2-methyl-3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 1532.47 g/mol, XLogP of 8.13, 10 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethanol;3-bromo-5-(bromomethyl)pyridine;4-[(5-bromo-3-pyridinyl)methyl]-2-methylmorpholin-3-one;ethyl 2-chloropropanoate;2-methyloxan-3-one;6-[5-[(2-methyl-3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 158134286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).