methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate

C8H6IN3O2 — CID 162342553

IUPACmethyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2c(I)[nH]nc12
InChIInChI=1S/C8H6IN3O2/c1-14-8(13)4-2-3-10-6-5(4)11-12-7(6)9/h2-3H,1H3,(H,11,12)
InChIKeyYJYCFRRQZRGZLL-UHFFFAOYSA-N
MW303.06 g/mol
LogP1.35
Rot. Bonds1

About methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate

methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate (PubChem CID 162342553) has the molecular formula C8H6IN3O2 and a molecular weight of 303.06 g/mol. Its IUPAC name is methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate
PubChem CID162342553
Molecular FormulaC8H6IN3O2
Molecular Weight303.06 g/mol
Exact Mass302.95
IUPAC Namemethyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2c(I)[nH]nc12
InChIInChI=1S/C8H6IN3O2/c1-14-8(13)4-2-3-10-6-5(4)11-12-7(6)9/h2-3H,1H3,(H,11,12)
InChIKeyYJYCFRRQZRGZLL-UHFFFAOYSA-N
XLogP1.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.06
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-hydroxy-2-iodopyridine-4-carboxylate
CID 167511597
methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 53412715
methyl 3-bromo-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 131552131
methyl 3-bromofuro[3,2-b]pyridine-7-carboxylate
CID 131602198
methyl 3-methylthieno[3,2-b]pyridine-7-carboxylate
CID 130905624
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
methyl 8-ethylquinoline-4-carboxylate
CID 102941710
methyl 5,6,8-trichloroquinoline-4-carboxylate
CID 102941704
methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 124705864
methyl 2-fluoro-3-methylpyridine-4-carboxylate
CID 118989256
methyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate
CID 137147104
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864

Frequently Asked Questions

What is the IUPAC name of methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate?
The IUPAC name of methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate (CID 162342553) is methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate is COC(=O)c1ccnc2c(I)[nH]nc12.
What is the InChIKey of methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate?
The InChIKey is YJYCFRRQZRGZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6IN3O2/c1-14-8(13)4-2-3-10-6-5(4)11-12-7(6)9/h2-3H,1H3,(H,11,12).
What are the key properties of methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate?
methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate has a molecular weight of 303.06 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate is sourced from PubChem (CID 162342553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).