sodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane

C36H33Br2Cl3F3N10NaO — CID 157432348

IUPACsodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane
SMILESC.C1CCOC1.Clc1ccnc(Cl)n1.Cn1ncc2cc(-c3ccnc(Cl)n3)cc(F)c21.Cn1ncc2cc(Br)cc(F)c21.Fc1cc(Br)cc2cn[nH]c12.[H-].[Na+]
InChIInChI=1S/C12H8ClFN4.C8H6BrFN2.C7H4BrFN2.C4H2Cl2N2.C4H8O.CH4.Na.H/c1-18-11-8(6-16-18)4-7(5-9(11)14)10-2-3-15-12(13)17-10;1-12-8-5(4-11-12)2-6(9)3-7(8)10;8-5-1-4-3-10-11-7(4)6(9)2-5;5-3-1-2-7-4(6)8-3;1-2-4-5-3-1;;;/h2-6H,1H3;2-4H,1H3;1-3H,(H,10,11);1-2H;1-4H2;1H4;;/q;;;;;;+1;-1
InChIKeyYPZCNWKQCWNLHG-UHFFFAOYSA-N
MW967.88 g/mol
LogP8.10
Rot. Bonds1

About sodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane

sodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane (PubChem CID 157432348) has the molecular formula C36H33Br2Cl3F3N10NaO and a molecular weight of 967.88 g/mol. Its IUPAC name is sodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane.

Molecular Properties

Compound Namesodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane
PubChem CID157432348
Molecular FormulaC36H33Br2Cl3F3N10NaO
Molecular Weight967.88 g/mol
Exact Mass964.01
IUPAC Namesodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane
SMILESC.C1CCOC1.Clc1ccnc(Cl)n1.Cn1ncc2cc(-c3ccnc(Cl)n3)cc(F)c21.Cn1ncc2cc(Br)cc(F)c21.Fc1cc(Br)cc2cn[nH]c12.[H-].[Na+]
InChIInChI=1S/C12H8ClFN4.C8H6BrFN2.C7H4BrFN2.C4H2Cl2N2.C4H8O.CH4.Na.H/c1-18-11-8(6-16-18)4-7(5-9(11)14)10-2-3-15-12(13)17-10;1-12-8-5(4-11-12)2-6(9)3-7(8)10;8-5-1-4-3-10-11-7(4)6(9)2-5;5-3-1-2-7-4(6)8-3;1-2-4-5-3-1;;;/h2-6H,1H3;2-4H,1H3;1-3H,(H,10,11);1-2H;1-4H2;1H4;;/q;;;;;;+1;-1
InChIKeyYPZCNWKQCWNLHG-UHFFFAOYSA-N
XLogP8.10
TPSA125.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.88
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze sodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane with MolForge

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Related Compounds

potassium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-3-iodo-2H-indazole;5-bromo-7-fluoro-3-iodo-2-methylindazole;5-bromo-7-fluoro-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-7-fluoro-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide
CID 157557748
potassium;5-bromo-1H-indazole;5-bromo-3-iodo-2H-indazole;5-bromo-3-iodo-2-methylindazole;5-bromo-2-methylidene-3-prop-1-en-2-ylindazol-2-ium;5-bromo-2-methyl-3-prop-1-en-2-ylindazole;5-(2-chloropyrimidin-4-yl)-2-methyl-3-prop-1-en-2-ylindazole;deuterio(fluoro)methane;2,4-dichloropyrimidine;methane;molecular iodine;oxolane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydroxide
CID 161092102
5-Bromo-7-fluoro-2-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-2-methylindazole;2,4-dichloropyrimidine;methane
CID 161848937

Frequently Asked Questions

What is the IUPAC name of sodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane?
The IUPAC name of sodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane (CID 157432348) is sodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane.
What is the SMILES notation for sodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane?
The canonical SMILES for sodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane is C.C1CCOC1.Clc1ccnc(Cl)n1.Cn1ncc2cc(-c3ccnc(Cl)n3)cc(F)c21.Cn1ncc2cc(Br)cc(F)c21.Fc1cc(Br)cc2cn[nH]c12.[H-].[Na+].
What is the InChIKey of sodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane?
The InChIKey is YPZCNWKQCWNLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4.C8H6BrFN2.C7H4BrFN2.C4H2Cl2N2.C4H8O.CH4.Na.H/c1-18-11-8(6-16-18)4-7(5-9(11)14)10-2-3-15-12(13)17-10;1-12-8-5(4-11-12)2-6(9)3-7(8)10;8-5-1-4-3-10-11-7(4)6(9)2-5;5-3-1-2-7-4(6)8-3;1-2-4-5-3-1;;;/h2-6H,1H3;2-4H,1H3;1-3H,(H,10,11);1-2H;1-4H2;1H4;;/q;;;;;;+1;-1.
What are the key properties of sodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane?
sodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane has a molecular weight of 967.88 g/mol, XLogP of 8.10, 1 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-bromo-7-fluoro-1H-indazole;5-bromo-7-fluoro-1-methylindazole;5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole;2,4-dichloropyrimidine;hydride;methane;oxolane is sourced from PubChem (CID 157432348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).