magnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide

C16H19BrCl2MgN4O2 — CID 162259079

IUPACmagnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide
SMILESC.C.Clc1nccc2cc[nH]c12.O=[N+]([O-])c1cccnc1Cl.[Br-].[H][C-]=C.[Mg+2]
InChIInChI=1S/C7H5ClN2.C5H3ClN2O2.C2H3.2CH4.BrH.Mg/c8-7-6-5(1-3-9-6)2-4-10-7;6-5-4(8(9)10)2-1-3-7-5;1-2;;;;/h1-4,9H;1-3H;1H,2H2;2*1H4;1H;/q;;-1;;;;+2/p-1
InChIKeyQLOPNDLAAUAMSD-UHFFFAOYSA-M
MW474.47 g/mol
LogP2.36
Rot. Bonds1

About magnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide

magnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide (PubChem CID 162259079) has the molecular formula C16H19BrCl2MgN4O2 and a molecular weight of 474.47 g/mol. Its IUPAC name is magnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide.

Molecular Properties

Compound Namemagnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide
PubChem CID162259079
Molecular FormulaC16H19BrCl2MgN4O2
Molecular Weight474.47 g/mol
Exact Mass471.99
IUPAC Namemagnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide
SMILESC.C.Clc1nccc2cc[nH]c12.O=[N+]([O-])c1cccnc1Cl.[Br-].[H][C-]=C.[Mg+2]
InChIInChI=1S/C7H5ClN2.C5H3ClN2O2.C2H3.2CH4.BrH.Mg/c8-7-6-5(1-3-9-6)2-4-10-7;6-5-4(8(9)10)2-1-3-7-5;1-2;;;;/h1-4,9H;1-3H;1H,2H2;2*1H4;1H;/q;;-1;;;;+2/p-1
InChIKeyQLOPNDLAAUAMSD-UHFFFAOYSA-M
XLogP2.36
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide?
The IUPAC name of magnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide (CID 162259079) is magnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide.
What is the SMILES notation for magnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide?
The canonical SMILES for magnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide is C.C.Clc1nccc2cc[nH]c12.O=[N+]([O-])c1cccnc1Cl.[Br-].[H][C-]=C.[Mg+2].
What is the InChIKey of magnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide?
The InChIKey is QLOPNDLAAUAMSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5ClN2.C5H3ClN2O2.C2H3.2CH4.BrH.Mg/c8-7-6-5(1-3-9-6)2-4-10-7;6-5-4(8(9)10)2-1-3-7-5;1-2;;;;/h1-4,9H;1-3H;1H,2H2;2*1H4;1H;/q;;-1;;;;+2/p-1.
What are the key properties of magnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide?
magnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide has a molecular weight of 474.47 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-chloro-3-nitropyridine;7-chloro-1H-pyrrolo[2,3-c]pyridine;ethene;methane;bromide is sourced from PubChem (CID 162259079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).