methyl 3-hydroxy-2-iodopyridine-4-carboxylate

C7H6INO3 — CID 167511597

IUPACmethyl 3-hydroxy-2-iodopyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(I)c1O
InChIInChI=1S/C7H6INO3/c1-12-7(11)4-2-3-9-6(8)5(4)10/h2-3,10H,1H3
InChIKeyKCFOLGJTCBQYST-UHFFFAOYSA-N
MW279.03 g/mol
LogP1.18
Rot. Bonds1

About methyl 3-hydroxy-2-iodopyridine-4-carboxylate

methyl 3-hydroxy-2-iodopyridine-4-carboxylate (PubChem CID 167511597) has the molecular formula C7H6INO3 and a molecular weight of 279.03 g/mol. Its IUPAC name is methyl 3-hydroxy-2-iodopyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-iodopyridine-4-carboxylate
PubChem CID167511597
Molecular FormulaC7H6INO3
Molecular Weight279.03 g/mol
Exact Mass278.94
IUPAC Namemethyl 3-hydroxy-2-iodopyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(I)c1O
InChIInChI=1S/C7H6INO3/c1-12-7(11)4-2-3-9-6(8)5(4)10/h2-3,10H,1H3
InChIKeyKCFOLGJTCBQYST-UHFFFAOYSA-N
XLogP1.18
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.03
LogP ≤ 51.18
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

dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate
CID 162342553
methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 53412715
methyl 2-fluoro-3-methylpyridine-4-carboxylate
CID 118989256
methyl 3-fluoro-2-hydroxy-4-iodobenzoate
CID 99769876
methyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311220
methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate
CID 130082903
methyl 2-amino-3-carbamoylpyridine-4-carboxylate
CID 174835549
3-iodopyrazine-2-carboxylic acid;methyl 3-iodopyrazine-2-carboxylate
CID 163762447
argon;methyl 2-hydroxy-4-iodobenzoate
CID 159067231
methyl 2-cyano-3-methylpyridine-4-carboxylate
CID 59565228
dimethyl quinoline-4,7-dicarboxylate
CID 100951662

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-iodopyridine-4-carboxylate?
The IUPAC name of methyl 3-hydroxy-2-iodopyridine-4-carboxylate (CID 167511597) is methyl 3-hydroxy-2-iodopyridine-4-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-2-iodopyridine-4-carboxylate?
The canonical SMILES for methyl 3-hydroxy-2-iodopyridine-4-carboxylate is COC(=O)c1ccnc(I)c1O.
What is the InChIKey of methyl 3-hydroxy-2-iodopyridine-4-carboxylate?
The InChIKey is KCFOLGJTCBQYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO3/c1-12-7(11)4-2-3-9-6(8)5(4)10/h2-3,10H,1H3.
What are the key properties of methyl 3-hydroxy-2-iodopyridine-4-carboxylate?
methyl 3-hydroxy-2-iodopyridine-4-carboxylate has a molecular weight of 279.03 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-iodopyridine-4-carboxylate is sourced from PubChem (CID 167511597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).