3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium

C28H31BrF6I2N6O9V — CID 161303361

IUPAC3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium
SMILESCOc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F.COc1nc(C(=O)O)c(Br)cc1C.COc1nc(C(=O)O)c(N)cc1C.I[V]I
InChIInChI=1S/C12H13F6N3O3.C8H8BrNO3.C8H10N2O3.2HI.V/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2;2*1-4-3-5(9)6(8(11)12)10-7(4)13-2;;;/h3,23H,4,19H2,1-2H3,(H,20,22);3H,1-2H3,(H,11,12);3H,9H2,1-2H3,(H,11,12);2*1H;/q;;;;;+2/p-2/t10-;;;;;/m0...../s1
InChIKeyVHXLGBXLDQWTFS-SBNSJFICSA-L
MW1094.23 g/mol
LogP6.04
Rot. Bonds8

About 3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium

3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium (PubChem CID 161303361) has the molecular formula C28H31BrF6I2N6O9V and a molecular weight of 1094.23 g/mol. Its IUPAC name is 3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium.

Molecular Properties

Compound Name3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium
PubChem CID161303361
Molecular FormulaC28H31BrF6I2N6O9V
Molecular Weight1094.23 g/mol
Exact Mass1092.88
IUPAC Name3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium
SMILESCOc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F.COc1nc(C(=O)O)c(Br)cc1C.COc1nc(C(=O)O)c(N)cc1C.I[V]I
InChIInChI=1S/C12H13F6N3O3.C8H8BrNO3.C8H10N2O3.2HI.V/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2;2*1-4-3-5(9)6(8(11)12)10-7(4)13-2;;;/h3,23H,4,19H2,1-2H3,(H,20,22);3H,1-2H3,(H,11,12);3H,9H2,1-2H3,(H,11,12);2*1H;/q;;;;;+2/p-2/t10-;;;;;/m0...../s1
InChIKeyVHXLGBXLDQWTFS-SBNSJFICSA-L
XLogP6.04
TPSA242.33 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001094.23
LogP ≤ 56.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium?
The IUPAC name of 3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium (CID 161303361) is 3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium.
What is the SMILES notation for 3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium?
The canonical SMILES for 3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium is COc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F.COc1nc(C(=O)O)c(Br)cc1C.COc1nc(C(=O)O)c(N)cc1C.I[V]I.
What is the InChIKey of 3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium?
The InChIKey is VHXLGBXLDQWTFS-SBNSJFICSA-L. The full InChI is InChI=1S/C12H13F6N3O3.C8H8BrNO3.C8H10N2O3.2HI.V/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2;2*1-4-3-5(9)6(8(11)12)10-7(4)13-2;;;/h3,23H,4,19H2,1-2H3,(H,20,22);3H,1-2H3,(H,11,12);3H,9H2,1-2H3,(H,11,12);2*1H;/q;;;;;+2/p-2/t10-;;;;;/m0...../s1.
What are the key properties of 3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium?
3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium has a molecular weight of 1094.23 g/mol, XLogP of 6.04, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxy-5-methylpyridine-2-carboxylic acid;3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide;3-bromo-6-methoxy-5-methylpyridine-2-carboxylic acid;diiodovanadium is sourced from PubChem (CID 161303361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).