magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride

C56H85Br5Cl2FMgN9O9S2 — CID 158751466

IUPACmagnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride
SMILESC1CCOC1.CC(C)(C)[S@](N)=O.CCC(=O)c1cc(Br)ccn1.CC[C@H](N)c1cc(Br)ccn1.CC[C@H](N[S@](=O)C(C)(C)C)c1cc(Br)ccn1.CO.Cl.O=C(O)c1cc(Br)ccn1.O=C(c1cc(Br)ccn1)N1CCOCC1.[2H]CF.[CH2-]C.[Cl-].[Mg+2]
InChIInChI=1S/C12H19BrN2OS.C10H11BrN2O2.C8H11BrN2.C8H8BrNO.C6H4BrNO2.C4H11NOS.C4H8O.C2H5.CH3F.CH4O.2ClH.Mg/c1-5-10(15-17(16)12(2,3)4)11-8-9(13)6-7-14-11;11-8-1-2-12-9(7-8)10(14)13-3-5-15-6-4-13;1-2-7(10)8-5-6(9)3-4-11-8;1-2-8(11)7-5-6(9)3-4-10-7;7-4-1-2-8-5(3-4)6(9)10;1-4(2,3)7(5)6;1-2-4-5-3-1;3*1-2;;;/h6-8,10,15H,5H2,1-4H3;1-2,7H,3-6H2;3-5,7H,2,10H2,1H3;3-5H,2H2,1H3;1-3H,(H,9,10);5H2,1-3H3;1-4H2;1H2,2H3;1H3;2H,1H3;2*1H;/q;;;;;;;-1;;;;;+2/p-1/t10-,17+;;7-;;;7-;;;;;;;/m0.0..1......./s1/i;;;;;;;;1D;;;;
InChIKeyUSMPNHUIITWIOX-BAUFRZPVSA-M
MW1607.22 g/mol
LogP10.18
Rot. Bonds10

About magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride

magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride (PubChem CID 158751466) has the molecular formula C56H85Br5Cl2FMgN9O9S2 and a molecular weight of 1607.22 g/mol. Its IUPAC name is magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride.

Molecular Properties

Compound Namemagnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride
PubChem CID158751466
Molecular FormulaC56H85Br5Cl2FMgN9O9S2
Molecular Weight1607.22 g/mol
Exact Mass1600.11
IUPAC Namemagnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride
SMILESC1CCOC1.CC(C)(C)[S@](N)=O.CCC(=O)c1cc(Br)ccn1.CC[C@H](N)c1cc(Br)ccn1.CC[C@H](N[S@](=O)C(C)(C)C)c1cc(Br)ccn1.CO.Cl.O=C(O)c1cc(Br)ccn1.O=C(c1cc(Br)ccn1)N1CCOCC1.[2H]CF.[CH2-]C.[Cl-].[Mg+2]
InChIInChI=1S/C12H19BrN2OS.C10H11BrN2O2.C8H11BrN2.C8H8BrNO.C6H4BrNO2.C4H11NOS.C4H8O.C2H5.CH3F.CH4O.2ClH.Mg/c1-5-10(15-17(16)12(2,3)4)11-8-9(13)6-7-14-11;11-8-1-2-12-9(7-8)10(14)13-3-5-15-6-4-13;1-2-7(10)8-5-6(9)3-4-11-8;1-2-8(11)7-5-6(9)3-4-10-7;7-4-1-2-8-5(3-4)6(9)10;1-4(2,3)7(5)6;1-2-4-5-3-1;3*1-2;;;/h6-8,10,15H,5H2,1-4H3;1-2,7H,3-6H2;3-5,7H,2,10H2,1H3;3-5H,2H2,1H3;1-3H,(H,9,10);5H2,1-3H3;1-4H2;1H2,2H3;1H3;2H,1H3;2*1H;/q;;;;;;;-1;;;;;+2/p-1/t10-,17+;;7-;;;7-;;;;;;;/m0.0..1......./s1/i;;;;;;;;1D;;;;
InChIKeyUSMPNHUIITWIOX-BAUFRZPVSA-M
XLogP10.18
TPSA276.03 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001607.22
LogP ≤ 510.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-morpholin-4-ylmethanone;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropan-1-one
CID 159855091
magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride
CID 161603406

Frequently Asked Questions

What is the IUPAC name of magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride?
The IUPAC name of magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride (CID 158751466) is magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride.
What is the SMILES notation for magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride?
The canonical SMILES for magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride is C1CCOC1.CC(C)(C)[S@](N)=O.CCC(=O)c1cc(Br)ccn1.CC[C@H](N)c1cc(Br)ccn1.CC[C@H](N[S@](=O)C(C)(C)C)c1cc(Br)ccn1.CO.Cl.O=C(O)c1cc(Br)ccn1.O=C(c1cc(Br)ccn1)N1CCOCC1.[2H]CF.[CH2-]C.[Cl-].[Mg+2].
What is the InChIKey of magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride?
The InChIKey is USMPNHUIITWIOX-BAUFRZPVSA-M. The full InChI is InChI=1S/C12H19BrN2OS.C10H11BrN2O2.C8H11BrN2.C8H8BrNO.C6H4BrNO2.C4H11NOS.C4H8O.C2H5.CH3F.CH4O.2ClH.Mg/c1-5-10(15-17(16)12(2,3)4)11-8-9(13)6-7-14-11;11-8-1-2-12-9(7-8)10(14)13-3-5-15-6-4-13;1-2-7(10)8-5-6(9)3-4-11-8;1-2-8(11)7-5-6(9)3-4-10-7;7-4-1-2-8-5(3-4)6(9)10;1-4(2,3)7(5)6;1-2-4-5-3-1;3*1-2;;;/h6-8,10,15H,5H2,1-4H3;1-2,7H,3-6H2;3-5,7H,2,10H2,1H3;3-5H,2H2,1H3;1-3H,(H,9,10);5H2,1-3H3;1-4H2;1H2,2H3;1H3;2H,1H3;2*1H;/q;;;;;;;-1;;;;;+2/p-1/t10-,17+;;7-;;;7-;;;;;;;/m0.0..1......./s1/i;;;;;;;;1D;;;;.
What are the key properties of magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride?
magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride has a molecular weight of 1607.22 g/mol, XLogP of 10.18, 10 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-bromopyridine-2-carboxylic acid;(4-bromo-2-pyridinyl)-morpholin-4-ylmethanone;(1S)-1-(4-bromo-2-pyridinyl)propan-1-amine;1-(4-bromo-2-pyridinyl)propan-1-one;(R)-N-[(1S)-1-(4-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;deuterio(fluoro)methane;ethane;methanol;(R)-2-methylpropane-2-sulfinamide;oxolane;chloride;hydrochloride is sourced from PubChem (CID 158751466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).