methyl 3-iodo-2H-indazole-7-carboxylate

C9H7IN2O2 — CID 24729392

IUPACmethyl 3-iodo-2H-indazole-7-carboxylate
SMILESCOC(=O)c1cccc2c(I)[nH]nc12
InChIInChI=1S/C9H7IN2O2/c1-14-9(13)6-4-2-3-5-7(6)11-12-8(5)10/h2-4H,1H3,(H,11,12)
InChIKeyBGYFLVURLOZQLU-UHFFFAOYSA-N
MW302.07 g/mol
LogP1.95
Rot. Bonds1

About methyl 3-iodo-2H-indazole-7-carboxylate

methyl 3-iodo-2H-indazole-7-carboxylate (PubChem CID 24729392) has the molecular formula C9H7IN2O2 and a molecular weight of 302.07 g/mol. Its IUPAC name is methyl 3-iodo-2H-indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-iodo-2H-indazole-7-carboxylate
PubChem CID24729392
Molecular FormulaC9H7IN2O2
Molecular Weight302.07 g/mol
Exact Mass301.96
IUPAC Namemethyl 3-iodo-2H-indazole-7-carboxylate
SMILESCOC(=O)c1cccc2c(I)[nH]nc12
InChIInChI=1S/C9H7IN2O2/c1-14-9(13)6-4-2-3-5-7(6)11-12-8(5)10/h2-4H,1H3,(H,11,12)
InChIKeyBGYFLVURLOZQLU-UHFFFAOYSA-N
XLogP1.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-iodo-2H-indazole-7-carboxylate?
The IUPAC name of methyl 3-iodo-2H-indazole-7-carboxylate (CID 24729392) is methyl 3-iodo-2H-indazole-7-carboxylate.
What is the SMILES notation for methyl 3-iodo-2H-indazole-7-carboxylate?
The canonical SMILES for methyl 3-iodo-2H-indazole-7-carboxylate is COC(=O)c1cccc2c(I)[nH]nc12.
What is the InChIKey of methyl 3-iodo-2H-indazole-7-carboxylate?
The InChIKey is BGYFLVURLOZQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O2/c1-14-9(13)6-4-2-3-5-7(6)11-12-8(5)10/h2-4H,1H3,(H,11,12).
What are the key properties of methyl 3-iodo-2H-indazole-7-carboxylate?
methyl 3-iodo-2H-indazole-7-carboxylate has a molecular weight of 302.07 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-iodo-2H-indazole-7-carboxylate is sourced from PubChem (CID 24729392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).