diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium

C54H58Cl8F7I9N9O12V2 — CID 162121113

IUPACdiiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium
SMILESC.CC(C)OC(=O)c1cc(Cl)c(Cl)c(Cl)n1.CC(C)OC(=O)c1cc(F)c(F)c(F)n1.CC(C)OC(=O)c1cc(N)c(F)c(Cl)n1.CC(C)OC(=O)c1cc(N)c(F)c(F)n1.CI.CI.COC(=O)c1cc(Cl)c(Cl)c(Cl)n1.COC(=O)c1cc(N)c(F)c(Cl)n1.ICI.I[V](I)I.I[V]I
InChIInChI=1S/C9H8Cl3NO2.C9H10ClFN2O2.C9H8F3NO2.C9H10F2N2O2.C7H4Cl3NO2.C7H6ClFN2O2.CH2I2.2CH3I.CH4.5HI.2V/c1-4(2)15-9(14)6-3-5(10)7(11)8(12)13-6;1-4(2)15-9(14)6-3-5(12)7(11)8(10)13-6;1-4(2)15-9(14)6-3-5(10)7(11)8(12)13-6;1-4(2)15-9(14)6-3-5(12)7(10)8(11)13-6;1-13-7(12)4-2-3(8)5(9)6(10)11-4;1-13-7(12)4-2-3(10)5(9)6(8)11-4;2-1-3;2*1-2;;;;;;;;/h3-4H,1-2H3;3-4H,1-2H3,(H2,12,13);3-4H,1-2H3;3-4H,1-2H3,(H2,12,13);2H,1H3;2H,1H3,(H2,10,11);1H2;2*1H3;1H4;5*1H;;/q;;;;;;;;;;;;;;;+2;+3/p-5
InChIKeyZHKMMYLVRFTIHU-UHFFFAOYSA-I
MW2685.74 g/mol
LogP22.25
Rot. Bonds10

About diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium

diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium (PubChem CID 162121113) has the molecular formula C54H58Cl8F7I9N9O12V2 and a molecular weight of 2685.74 g/mol. Its IUPAC name is diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium.

Molecular Properties

Compound Namediiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium
PubChem CID162121113
Molecular FormulaC54H58Cl8F7I9N9O12V2
Molecular Weight2685.74 g/mol
Exact Mass2681.19
IUPAC Namediiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium
SMILESC.CC(C)OC(=O)c1cc(Cl)c(Cl)c(Cl)n1.CC(C)OC(=O)c1cc(F)c(F)c(F)n1.CC(C)OC(=O)c1cc(N)c(F)c(Cl)n1.CC(C)OC(=O)c1cc(N)c(F)c(F)n1.CI.CI.COC(=O)c1cc(Cl)c(Cl)c(Cl)n1.COC(=O)c1cc(N)c(F)c(Cl)n1.ICI.I[V](I)I.I[V]I
InChIInChI=1S/C9H8Cl3NO2.C9H10ClFN2O2.C9H8F3NO2.C9H10F2N2O2.C7H4Cl3NO2.C7H6ClFN2O2.CH2I2.2CH3I.CH4.5HI.2V/c1-4(2)15-9(14)6-3-5(10)7(11)8(12)13-6;1-4(2)15-9(14)6-3-5(12)7(11)8(10)13-6;1-4(2)15-9(14)6-3-5(10)7(11)8(12)13-6;1-4(2)15-9(14)6-3-5(12)7(10)8(11)13-6;1-13-7(12)4-2-3(8)5(9)6(10)11-4;1-13-7(12)4-2-3(10)5(9)6(8)11-4;2-1-3;2*1-2;;;;;;;;/h3-4H,1-2H3;3-4H,1-2H3,(H2,12,13);3-4H,1-2H3;3-4H,1-2H3,(H2,12,13);2H,1H3;2H,1H3,(H2,10,11);1H2;2*1H3;1H4;5*1H;;/q;;;;;;;;;;;;;;;+2;+3/p-5
InChIKeyZHKMMYLVRFTIHU-UHFFFAOYSA-I
XLogP22.25
TPSA313.20 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002685.74
LogP ≤ 522.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium with MolForge

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Related Compounds

4-Amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane
CID 157243286
4-Amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-4-amino-3-chloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 4-amino-3,6-dichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane
CID 160884249
Propan-2-yl 4-chloro-5,6-difluoropyridine-2-carboxylate;propan-2-yl 5-chloro-4,6-difluoropyridine-2-carboxylate;propan-2-yl 6-chloro-4,5-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate
CID 157145376
Propan-2-yl 3,4,5,6-tetrafluoropyridine-2-carboxylate;3,4,5,6-tetrachloropyridine-2-carbonyl chloride;3,4,5,6-tetrafluoropyridine-2-carbonyl fluoride;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride;4,5,6-trifluoropyridine-2-carboxylic acid;hydrate
CID 157656220
5-Chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 3,4,5,6-tetrafluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;3,4,5,6-tetrachloropyridine-2-carbonyl chloride;3,4,5,6-tetrafluoropyridine-2-carbonyl fluoride;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride
CID 161694616
Diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium
CID 161857543
5-Chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride
CID 162052565

Frequently Asked Questions

What is the IUPAC name of diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium?
The IUPAC name of diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium (CID 162121113) is diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium.
What is the SMILES notation for diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium?
The canonical SMILES for diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium is C.CC(C)OC(=O)c1cc(Cl)c(Cl)c(Cl)n1.CC(C)OC(=O)c1cc(F)c(F)c(F)n1.CC(C)OC(=O)c1cc(N)c(F)c(Cl)n1.CC(C)OC(=O)c1cc(N)c(F)c(F)n1.CI.CI.COC(=O)c1cc(Cl)c(Cl)c(Cl)n1.COC(=O)c1cc(N)c(F)c(Cl)n1.ICI.I[V](I)I.I[V]I.
What is the InChIKey of diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium?
The InChIKey is ZHKMMYLVRFTIHU-UHFFFAOYSA-I. The full InChI is InChI=1S/C9H8Cl3NO2.C9H10ClFN2O2.C9H8F3NO2.C9H10F2N2O2.C7H4Cl3NO2.C7H6ClFN2O2.CH2I2.2CH3I.CH4.5HI.2V/c1-4(2)15-9(14)6-3-5(10)7(11)8(12)13-6;1-4(2)15-9(14)6-3-5(12)7(11)8(10)13-6;1-4(2)15-9(14)6-3-5(10)7(11)8(12)13-6;1-4(2)15-9(14)6-3-5(12)7(10)8(11)13-6;1-13-7(12)4-2-3(8)5(9)6(10)11-4;1-13-7(12)4-2-3(10)5(9)6(8)11-4;2-1-3;2*1-2;;;;;;;;/h3-4H,1-2H3;3-4H,1-2H3,(H2,12,13);3-4H,1-2H3;3-4H,1-2H3,(H2,12,13);2H,1H3;2H,1H3,(H2,10,11);1H2;2*1H3;1H4;5*1H;;/q;;;;;;;;;;;;;;;+2;+3/p-5.
What are the key properties of diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium?
diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium has a molecular weight of 2685.74 g/mol, XLogP of 22.25, 10 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium is sourced from PubChem (CID 162121113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).