methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate

C11H10N2O3 — CID 74890533

IUPACmethyl 3-formyl-7-methyl-2H-indazole-4-carboxylate
SMILESCOC(=O)c1ccc(C)c2n[nH]c(C=O)c12
InChIInChI=1S/C11H10N2O3/c1-6-3-4-7(11(15)16-2)9-8(5-14)12-13-10(6)9/h3-5H,1-2H3,(H,12,13)
InChIKeyZKLLNBHUXCLSQI-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.47
Rot. Bonds2

About methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate

methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate (PubChem CID 74890533) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-formyl-7-methyl-2H-indazole-4-carboxylate
PubChem CID74890533
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 3-formyl-7-methyl-2H-indazole-4-carboxylate
SMILESCOC(=O)c1ccc(C)c2n[nH]c(C=O)c12
InChIInChI=1S/C11H10N2O3/c1-6-3-4-7(11(15)16-2)9-8(5-14)12-13-10(6)9/h3-5H,1-2H3,(H,12,13)
InChIKeyZKLLNBHUXCLSQI-UHFFFAOYSA-N
XLogP1.47
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate
CID 24728365
methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate
CID 24728090
methyl 4-formyl-5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 88535216
methyl 2-methoxy-8-methylquinoline-5-carboxylate
CID 86241626
methyl 3-hydroxy-2,4-dimethylbenzoate
CID 118991641
methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 124705864
methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate
CID 162342553
methyl 4-bromo-7-methyl-1H-indole-3-carboxylate
CID 130049659
methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 74890548
methyl 5-ethenyl-2-methylbenzoate
CID 10702422
methyl 6-bromo-2-formylpyridine-3-carboxylate
CID 112757160

Frequently Asked Questions

What is the IUPAC name of methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate?
The IUPAC name of methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate (CID 74890533) is methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate.
What is the SMILES notation for methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate?
The canonical SMILES for methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate is COC(=O)c1ccc(C)c2n[nH]c(C=O)c12.
What is the InChIKey of methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate?
The InChIKey is ZKLLNBHUXCLSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-3-4-7(11(15)16-2)9-8(5-14)12-13-10(6)9/h3-5H,1-2H3,(H,12,13).
What are the key properties of methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate?
methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate is sourced from PubChem (CID 74890533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).