methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate

C8H6F2INO3 — CID 130082903

IUPACmethyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate
SMILESCOC(=O)c1cc(C(F)F)nc(I)c1O
InChIInChI=1S/C8H6F2INO3/c1-15-8(14)3-2-4(6(9)10)12-7(11)5(3)13/h2,6,13H,1H3
InChIKeyNDKZJBASNAHCRX-UHFFFAOYSA-N
MW329.04 g/mol
LogP2.12
Rot. Bonds2

About methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate

methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate (PubChem CID 130082903) has the molecular formula C8H6F2INO3 and a molecular weight of 329.04 g/mol. Its IUPAC name is methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate
PubChem CID130082903
Molecular FormulaC8H6F2INO3
Molecular Weight329.04 g/mol
Exact Mass328.94
IUPAC Namemethyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate
SMILESCOC(=O)c1cc(C(F)F)nc(I)c1O
InChIInChI=1S/C8H6F2INO3/c1-15-8(14)3-2-4(6(9)10)12-7(11)5(3)13/h2,6,13H,1H3
InChIKeyNDKZJBASNAHCRX-UHFFFAOYSA-N
XLogP2.12
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.04
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133100965
methyl 2-bromo-6-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 130109771
methyl 6-(difluoromethyl)-3,4-diiodopyridine-2-carboxylate
CID 134664181
methyl 2-bromo-3-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate
CID 130070389
6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
CID 130086233
methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130104973
methyl 2-(difluoromethyl)-3-hydroxy-6-methoxypyridine-4-carboxylate
CID 133103210
methyl 6-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676531
methyl 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxylate
CID 133102179
methyl 5-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 134675061
6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide
CID 130100741
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100237

Frequently Asked Questions

What is the IUPAC name of methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate?
The IUPAC name of methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate (CID 130082903) is methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate.
What is the SMILES notation for methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate?
The canonical SMILES for methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate is COC(=O)c1cc(C(F)F)nc(I)c1O.
What is the InChIKey of methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate?
The InChIKey is NDKZJBASNAHCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO3/c1-15-8(14)3-2-4(6(9)10)12-7(11)5(3)13/h2,6,13H,1H3.
What are the key properties of methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate?
methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate has a molecular weight of 329.04 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate is sourced from PubChem (CID 130082903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).