sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane — IUPAC name, SMILES, InChIKey & properties

Name: sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane

sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane (PubChem CID 158320847) has the molecular formula C60H71BBr2Cl7F18N14NaO9 and a molecular weight of 1916.06 g/mol. Its IUPAC name is sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane.

Molecular Properties

Compound Name	sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane
PubChem CID	158320847
Molecular Formula	C60H71BBr2Cl7F18N14NaO9
Molecular Weight	1916.06 g/mol
Exact Mass	1910.14
IUPAC Name	sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane
SMILES	C.C.C.C.C.C.CC1(C)OB(c2cnc(OC3CC(F)(F)C3)c(F)c2)OC1(C)C.FC(F)(Cl)c1nnc2cnc(Cl)cn12.Fc1cc(Br)cnc1F.Fc1cc(Br)cnc1OC1CC(F)(F)C1.NNc1cnc(Cl)cn1.O=C(CNc1cnc(Cl)cn1)C(F)(F)Cl.O=C(OC(=O)C(F)(F)Cl)C(F)(F)Cl.OC1CC(F)(F)C1.[H-].[Na+]
InChI	InChI=1S/C15H19BF3NO3.C9H7BrF3NO.C7H5Cl2F2N3O.C6H2Cl2F2N4.C5H2BrF2N.C4Cl2F4O3.C4H5ClN4.C4H6F2O.6CH4.Na.H/c1-13(2)14(3,4)23-16(22-13)9-5-11(17)12(20-8-9)21-10-6-15(18,19)7-10;10-5-1-7(11)8(14-4-5)15-6-2-9(12,13)3-6;8-5-2-14-6(3-12-5)13-1-4(15)7(9,10)11;7-3-2-14-4(1-11-3)12-13-5(14)6(8,9)10;6-3-1-4(7)5(8)9-2-3;5-3(7,8)1(11)13-2(12)4(6,9)10;5-3-1-8-4(9-6)2-7-3;5-4(6)1-3(7)2-4;;;;;;;;/h5,8,10H,6-7H2,1-4H3;1,4,6H,2-3H2;2-3H,1H2,(H,13,14);1-2H;1-2H;;1-2H,6H2,(H,8,9);3,7H,1-2H2;6*1H4;;/q;;;;;;;;;;;;;;+1;-1
InChIKey	TYQQRUJBYPOKEZ-UHFFFAOYSA-N
XLogP	15.83
TPSA	300.98 Å²
H-Bond Donors	4
H-Bond Acceptors	23
Rotatable Bonds	13
Heavy Atoms	112
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1916.06
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane?

The IUPAC name of sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane (CID 158320847) is sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane.

What is the SMILES notation for sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane?

The canonical SMILES for sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane is C.C.C.C.C.C.CC1(C)OB(c2cnc(OC3CC(F)(F)C3)c(F)c2)OC1(C)C.FC(F)(Cl)c1nnc2cnc(Cl)cn12.Fc1cc(Br)cnc1F.Fc1cc(Br)cnc1OC1CC(F)(F)C1.NNc1cnc(Cl)cn1.O=C(CNc1cnc(Cl)cn1)C(F)(F)Cl.O=C(OC(=O)C(F)(F)Cl)C(F)(F)Cl.OC1CC(F)(F)C1.[H-].[Na+].

What is the InChIKey of sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane?

The InChIKey is TYQQRUJBYPOKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BF3NO3.C9H7BrF3NO.C7H5Cl2F2N3O.C6H2Cl2F2N4.C5H2BrF2N.C4Cl2F4O3.C4H5ClN4.C4H6F2O.6CH4.Na.H/c1-13(2)14(3,4)23-16(22-13)9-5-11(17)12(20-8-9)21-10-6-15(18,19)7-10;10-5-1-7(11)8(14-4-5)15-6-2-9(12,13)3-6;8-5-2-14-6(3-12-5)13-1-4(15)7(9,10)11;7-3-2-14-4(1-11-3)12-13-5(14)6(8,9)10;6-3-1-4(7)5(8)9-2-3;5-3(7,8)1(11)13-2(12)4(6,9)10;5-3-1-8-4(9-6)2-7-3;5-4(6)1-3(7)2-4;;;;;;;;/h5,8,10H,6-7H2,1-4H3;1,4,6H,2-3H2;2-3H,1H2,(H,13,14);1-2H;1-2H;;1-2H,6H2,(H,8,9);3,7H,1-2H2;6*1H4;;/q;;;;;;;;;;;;;;+1;-1.

What are the key properties of sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane?

Where does this data come from?

All data for sodium;5-bromo-2-(3,3-difluorocyclobutyl)oxy-3-fluoropyridine;5-bromo-2,3-difluoropyridine;6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-chloro-3-[(5-chloropyrazin-2-yl)amino]-1,1-difluoropropan-2-one;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;(5-chloropyrazin-2-yl)hydrazine;3,3-difluorocyclobutan-1-ol;2-(3,3-difluorocyclobutyl)oxy-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydride;methane is sourced from PubChem (CID 158320847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).