methyl 3-chloro-5-methyl-2H-indazole-4-carboxylate

C10H9ClN2O2 — CID 154728236

IUPACmethyl 3-chloro-5-methyl-2H-indazole-4-carboxylate
SMILESCOC(=O)c1c(C)ccc2n[nH]c(Cl)c12
InChIInChI=1S/C10H9ClN2O2/c1-5-3-4-6-8(9(11)13-12-6)7(5)10(14)15-2/h3-4H,1-2H3,(H,12,13)
InChIKeyQDUFRGBNIAAFCG-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.31
Rot. Bonds1

About methyl 3-chloro-5-methyl-2H-indazole-4-carboxylate

methyl 3-chloro-5-methyl-2H-indazole-4-carboxylate (PubChem CID 154728236) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is methyl 3-chloro-5-methyl-2H-indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-5-methyl-2H-indazole-4-carboxylate
PubChem CID154728236
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Namemethyl 3-chloro-5-methyl-2H-indazole-4-carboxylate
SMILESCOC(=O)c1c(C)ccc2n[nH]c(Cl)c12
InChIInChI=1S/C10H9ClN2O2/c1-5-3-4-6-8(9(11)13-12-6)7(5)10(14)15-2/h3-4H,1-2H3,(H,12,13)
InChIKeyQDUFRGBNIAAFCG-UHFFFAOYSA-N
XLogP2.31
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-methyl-2H-indazole-4-carboxylate?
The IUPAC name of methyl 3-chloro-5-methyl-2H-indazole-4-carboxylate (CID 154728236) is methyl 3-chloro-5-methyl-2H-indazole-4-carboxylate.
What is the SMILES notation for methyl 3-chloro-5-methyl-2H-indazole-4-carboxylate?
The canonical SMILES for methyl 3-chloro-5-methyl-2H-indazole-4-carboxylate is COC(=O)c1c(C)ccc2n[nH]c(Cl)c12.
What is the InChIKey of methyl 3-chloro-5-methyl-2H-indazole-4-carboxylate?
The InChIKey is QDUFRGBNIAAFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-5-3-4-6-8(9(11)13-12-6)7(5)10(14)15-2/h3-4H,1-2H3,(H,12,13).
What are the key properties of methyl 3-chloro-5-methyl-2H-indazole-4-carboxylate?
methyl 3-chloro-5-methyl-2H-indazole-4-carboxylate has a molecular weight of 224.65 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-methyl-2H-indazole-4-carboxylate is sourced from PubChem (CID 154728236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).