methyl 3-formyl-2H-indazole-5-carboxylate

C10H8N2O3 — CID 27274683

IUPACmethyl 3-formyl-2H-indazole-5-carboxylate
SMILESCOC(=O)c1ccc2n[nH]c(C=O)c2c1
InChIInChI=1S/C10H8N2O3/c1-15-10(14)6-2-3-8-7(4-6)9(5-13)12-11-8/h2-5H,1H3,(H,11,12)
InChIKeyASNIOVVZBFNGJZ-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.16
Rot. Bonds2

About methyl 3-formyl-2H-indazole-5-carboxylate

methyl 3-formyl-2H-indazole-5-carboxylate (PubChem CID 27274683) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is methyl 3-formyl-2H-indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-formyl-2H-indazole-5-carboxylate
PubChem CID27274683
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Namemethyl 3-formyl-2H-indazole-5-carboxylate
SMILESCOC(=O)c1ccc2n[nH]c(C=O)c2c1
InChIInChI=1S/C10H8N2O3/c1-15-10(14)6-2-3-8-7(4-6)9(5-13)12-11-8/h2-5H,1H3,(H,11,12)
InChIKeyASNIOVVZBFNGJZ-UHFFFAOYSA-N
XLogP1.16
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-formyl-2H-indazole-5-carboxylate?
The IUPAC name of methyl 3-formyl-2H-indazole-5-carboxylate (CID 27274683) is methyl 3-formyl-2H-indazole-5-carboxylate.
What is the SMILES notation for methyl 3-formyl-2H-indazole-5-carboxylate?
The canonical SMILES for methyl 3-formyl-2H-indazole-5-carboxylate is COC(=O)c1ccc2n[nH]c(C=O)c2c1.
What is the InChIKey of methyl 3-formyl-2H-indazole-5-carboxylate?
The InChIKey is ASNIOVVZBFNGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-15-10(14)6-2-3-8-7(4-6)9(5-13)12-11-8/h2-5H,1H3,(H,11,12).
What are the key properties of methyl 3-formyl-2H-indazole-5-carboxylate?
methyl 3-formyl-2H-indazole-5-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formyl-2H-indazole-5-carboxylate is sourced from PubChem (CID 27274683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).