magnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride

C78H108BrClF4MgN6O6 — CID 158884193

IUPACmagnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.COC(=O)c1ccc(Br)nc1.COC(=O)c1ccc(Cc2cccc(F)c2)nc1.Cc1ccc(N)nc1.O=Cc1ccc(Cc2cccc(F)c2)nc1.OCc1ccc(Cc2cccc(F)c2)nc1.[CH2-]c1cccc(F)c1.[Cl-].[Mg+2]
InChIInChI=1S/C14H12FNO2.C13H12FNO.C13H10FNO.C7H6BrNO2.C7H6F.C6H8N2.9C2H6.ClH.Mg/c1-18-14(17)11-5-6-13(16-9-11)8-10-3-2-4-12(15)7-10;2*14-12-3-1-2-10(6-12)7-13-5-4-11(9-16)8-15-13;1-11-7(10)5-2-3-6(8)9-4-5;1-6-3-2-4-7(8)5-6;1-5-2-3-6(7)8-4-5;9*1-2;;/h2-7,9H,8H2,1H3;1-6,8,16H,7,9H2;1-6,8-9H,7H2;2-4H,1H3;2-5H,1H2;2-4H,1H3,(H2,7,8);9*1-2H3;1H;/q;;;;-1;;;;;;;;;;;;+2/p-1
InChIKeyHHNHMKZDJOETPB-UHFFFAOYSA-M
MW1441.41 g/mol
LogP18.00
Rot. Bonds10

About magnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride

magnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride (PubChem CID 158884193) has the molecular formula C78H108BrClF4MgN6O6 and a molecular weight of 1441.41 g/mol. Its IUPAC name is magnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride.

Molecular Properties

Compound Namemagnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride
PubChem CID158884193
Molecular FormulaC78H108BrClF4MgN6O6
Molecular Weight1441.41 g/mol
Exact Mass1438.70
IUPAC Namemagnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.COC(=O)c1ccc(Br)nc1.COC(=O)c1ccc(Cc2cccc(F)c2)nc1.Cc1ccc(N)nc1.O=Cc1ccc(Cc2cccc(F)c2)nc1.OCc1ccc(Cc2cccc(F)c2)nc1.[CH2-]c1cccc(F)c1.[Cl-].[Mg+2]
InChIInChI=1S/C14H12FNO2.C13H12FNO.C13H10FNO.C7H6BrNO2.C7H6F.C6H8N2.9C2H6.ClH.Mg/c1-18-14(17)11-5-6-13(16-9-11)8-10-3-2-4-12(15)7-10;2*14-12-3-1-2-10(6-12)7-13-5-4-11(9-16)8-15-13;1-11-7(10)5-2-3-6(8)9-4-5;1-6-3-2-4-7(8)5-6;1-5-2-3-6(7)8-4-5;9*1-2;;/h2-7,9H,8H2,1H3;1-6,8,16H,7,9H2;1-6,8-9H,7H2;2-4H,1H3;2-5H,1H2;2-4H,1H3,(H2,7,8);9*1-2H3;1H;/q;;;;-1;;;;;;;;;;;;+2/p-1
InChIKeyHHNHMKZDJOETPB-UHFFFAOYSA-M
XLogP18.00
TPSA180.37 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001441.41
LogP ≤ 518.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze magnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride with MolForge

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Related Compounds

2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159561965
Methyl 6-bromopyridine-3-carboxylate;methyl 6-[(4-methylphenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine
CID 53865467
2-Bromo-3-methylpyridine;tert-butyl 3-(6-amino-3-methyl-2-pyridinyl)benzoate;tert-butyl 3-(3-methyl-1-oxidopyridin-1-ium-2-yl)benzoate;tert-butyl 3-(3-methyl-2-pyridinyl)benzoate;[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid
CID 157372151
Magnesium;3-bromopyridine;ethane;1-fluoro-3-methanidylbenzene;3-[(3-fluorophenyl)methyl]pyridine-4-carbaldehyde;[3-[(3-fluorophenyl)methyl]-4-pyridinyl]methanol;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(3-fluorophenyl)methyl]pyridine-4-carboxylate;chloride
CID 159230705
CID 159508230
CID 159508230
1-(Bromomethyl)-3-fluorobenzene;2-bromopyridine;ethane;2-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[2-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 2-bromopyridine-3-carboxylate;methyl 2-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 160872808
3-Bromo-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;5-bromo-6-(4-fluorophenyl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridin-2-amine;methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 163683352

Frequently Asked Questions

What is the IUPAC name of magnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride?
The IUPAC name of magnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride (CID 158884193) is magnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride.
What is the SMILES notation for magnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride?
The canonical SMILES for magnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride is CC.CC.CC.CC.CC.CC.CC.CC.CC.COC(=O)c1ccc(Br)nc1.COC(=O)c1ccc(Cc2cccc(F)c2)nc1.Cc1ccc(N)nc1.O=Cc1ccc(Cc2cccc(F)c2)nc1.OCc1ccc(Cc2cccc(F)c2)nc1.[CH2-]c1cccc(F)c1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride?
The InChIKey is HHNHMKZDJOETPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12FNO2.C13H12FNO.C13H10FNO.C7H6BrNO2.C7H6F.C6H8N2.9C2H6.ClH.Mg/c1-18-14(17)11-5-6-13(16-9-11)8-10-3-2-4-12(15)7-10;2*14-12-3-1-2-10(6-12)7-13-5-4-11(9-16)8-15-13;1-11-7(10)5-2-3-6(8)9-4-5;1-6-3-2-4-7(8)5-6;1-5-2-3-6(7)8-4-5;9*1-2;;/h2-7,9H,8H2,1H3;1-6,8,16H,7,9H2;1-6,8-9H,7H2;2-4H,1H3;2-5H,1H2;2-4H,1H3,(H2,7,8);9*1-2H3;1H;/q;;;;-1;;;;;;;;;;;;+2/p-1.
What are the key properties of magnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride?
magnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride has a molecular weight of 1441.41 g/mol, XLogP of 18.00, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethane;1-fluoro-3-methanidylbenzene;6-[(3-fluorophenyl)methyl]pyridine-3-carbaldehyde;[6-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol;methyl 6-bromopyridine-3-carboxylate;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate;5-methylpyridin-2-amine;chloride is sourced from PubChem (CID 158884193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).