sodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate

C28H21BrCl3F2N6NaO8 — CID 159892823

IUPACsodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate
SMILESClC(Cl)Cl.Nc1ccc(F)cn1.O=C(CBr)c1ccc([N+](=O)[O-])cc1.O=CO[O-].O=[N+]([O-])c1ccc(-c2cn3cc(F)ccc3n2)cc1.[Na+]
InChIInChI=1S/C13H8FN3O2.C8H6BrNO3.C5H5FN2.CHCl3.CH2O3.Na/c14-10-3-6-13-15-12(8-16(13)7-10)9-1-4-11(5-2-9)17(18)19;9-5-8(11)6-1-3-7(4-2-6)10(12)13;6-4-1-2-5(7)8-3-4;2-1(3)4;2-1-4-3;/h1-8H;1-4H,5H2;1-3H,(H2,7,8);1H;1,3H;/q;;;;;+1/p-1
InChIKeyNUYXZPOYEGZNMT-UHFFFAOYSA-M
MW816.76 g/mol
LogP3.45
Rot. Bonds6

About sodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate

sodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate (PubChem CID 159892823) has the molecular formula C28H21BrCl3F2N6NaO8 and a molecular weight of 816.76 g/mol. Its IUPAC name is sodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate.

Molecular Properties

Compound Namesodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate
PubChem CID159892823
Molecular FormulaC28H21BrCl3F2N6NaO8
Molecular Weight816.76 g/mol
Exact Mass813.95
IUPAC Namesodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate
SMILESClC(Cl)Cl.Nc1ccc(F)cn1.O=C(CBr)c1ccc([N+](=O)[O-])cc1.O=CO[O-].O=[N+]([O-])c1ccc(-c2cn3cc(F)ccc3n2)cc1.[Na+]
InChIInChI=1S/C13H8FN3O2.C8H6BrNO3.C5H5FN2.CHCl3.CH2O3.Na/c14-10-3-6-13-15-12(8-16(13)7-10)9-1-4-11(5-2-9)17(18)19;9-5-8(11)6-1-3-7(4-2-6)10(12)13;6-4-1-2-5(7)8-3-4;2-1(3)4;2-1-4-3;/h1-8H;1-4H,5H2;1-3H,(H2,7,8);1H;1,3H;/q;;;;;+1/p-1
InChIKeyNUYXZPOYEGZNMT-UHFFFAOYSA-M
XLogP3.45
TPSA208.92 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

sodium;2-bromo-1-(2-chloro-4-pyridinyl)ethanone;2-(2-chloro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;2-(2-(18F)fluoro-4-pyridinyl)-6-isocyanoimidazo[1,2-a]pyridine;5-isocyanopyridin-2-amine;oxido formate
CID 158255928
2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine
CID 67122921
benzyl N-(2-aminopyrimidin-5-yl)carbamate;benzyl 2-[2-(4-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetate;2-bromo-1-(4-nitrophenyl)ethanone;methane
CID 158483661
2-bromo-1-[4-(dimethylamino)phenyl]ethanone;2,2-dibromo-1-[4-(dimethylamino)phenyl]ethanone;N,N-diethylethanamine;diethyl hydrogen phosphite;1-[4-(dimethylamino)phenyl]ethanone;bis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);4-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(125I)aniline;5-methylpyridin-2-amine
CID 159779778
1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone
CID 8699383
2-bromo-1-[4-(4-nitrophenoxy)phenyl]ethanone
CID 87060508
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate
CID 23820536
2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 25184009
1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
CID 23372647
5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
CID 172619087
7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 45158643
[2-(4-nitrophenyl)-2-oxoethyl] 4-quinoxalin-2-ylbenzoate
CID 23764902

Frequently Asked Questions

What is the IUPAC name of sodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate?
The IUPAC name of sodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate (CID 159892823) is sodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate.
What is the SMILES notation for sodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate?
The canonical SMILES for sodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate is ClC(Cl)Cl.Nc1ccc(F)cn1.O=C(CBr)c1ccc([N+](=O)[O-])cc1.O=CO[O-].O=[N+]([O-])c1ccc(-c2cn3cc(F)ccc3n2)cc1.[Na+].
What is the InChIKey of sodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate?
The InChIKey is NUYXZPOYEGZNMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H8FN3O2.C8H6BrNO3.C5H5FN2.CHCl3.CH2O3.Na/c14-10-3-6-13-15-12(8-16(13)7-10)9-1-4-11(5-2-9)17(18)19;9-5-8(11)6-1-3-7(4-2-6)10(12)13;6-4-1-2-5(7)8-3-4;2-1(3)4;2-1-4-3;/h1-8H;1-4H,5H2;1-3H,(H2,7,8);1H;1,3H;/q;;;;;+1/p-1.
What are the key properties of sodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate?
sodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate has a molecular weight of 816.76 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-bromo-1-(4-nitrophenyl)ethanone;chloroform;6-fluoro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine;5-fluoropyridin-2-amine;oxido formate is sourced from PubChem (CID 159892823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).