methyl 3-methyl-2H-indazole-6-carboxylate

C10H10N2O2 — CID 22387979

IUPACmethyl 3-methyl-2H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C)[nH]nc2c1
InChIInChI=1S/C10H10N2O2/c1-6-8-4-3-7(10(13)14-2)5-9(8)12-11-6/h3-5H,1-2H3,(H,11,12)
InChIKeyCKPSQUXIPHAGLQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.66
Rot. Bonds1

About methyl 3-methyl-2H-indazole-6-carboxylate

methyl 3-methyl-2H-indazole-6-carboxylate (PubChem CID 22387979) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 3-methyl-2H-indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-2H-indazole-6-carboxylate
PubChem CID22387979
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 3-methyl-2H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C)[nH]nc2c1
InChIInChI=1S/C10H10N2O2/c1-6-8-4-3-7(10(13)14-2)5-9(8)12-11-6/h3-5H,1-2H3,(H,11,12)
InChIKeyCKPSQUXIPHAGLQ-UHFFFAOYSA-N
XLogP1.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-tert-butyl-2H-indazole-5-carboxylate
CID 59436662
methyl 2H-benzotriazole-5-carboxylate
CID 6409672
ethyl 3-chloro-2H-indazole-6-carboxylate
CID 131699852
ethane;6-methoxy-3-methyl-2H-indazole
CID 142896061
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 4-(5-methyl-1H-pyrazol-3-yl)benzoate
CID 21023715
methyl 3-carbamoyl-1H-indazole-6-carboxylate
CID 166522746
(3-methyl-2H-indazol-6-yl) 2,2-dimethylpropanoate
CID 174621707
ethane;3-methyl-2H-indazol-6-ol
CID 144952867
(2-chloro-5-methoxycarbonylphenyl)methyl 3-methyl-2H-pyrazolo[3,4-c]pyridine-5-carboxylate
CID 167856979
tert-butyl N-(3-methyl-2H-indazol-6-yl)carbamate
CID 57295675
methyl 3-iodo-5-methyl-2H-indazole-6-carboxylate
CID 123135201

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2H-indazole-6-carboxylate?
The IUPAC name of methyl 3-methyl-2H-indazole-6-carboxylate (CID 22387979) is methyl 3-methyl-2H-indazole-6-carboxylate.
What is the SMILES notation for methyl 3-methyl-2H-indazole-6-carboxylate?
The canonical SMILES for methyl 3-methyl-2H-indazole-6-carboxylate is COC(=O)c1ccc2c(C)[nH]nc2c1.
What is the InChIKey of methyl 3-methyl-2H-indazole-6-carboxylate?
The InChIKey is CKPSQUXIPHAGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-8-4-3-7(10(13)14-2)5-9(8)12-11-6/h3-5H,1-2H3,(H,11,12).
What are the key properties of methyl 3-methyl-2H-indazole-6-carboxylate?
methyl 3-methyl-2H-indazole-6-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2H-indazole-6-carboxylate is sourced from PubChem (CID 22387979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).