methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate

C13H14N2O4 — CID 142606640

IUPACmethyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C3OCCO3)nn(C)c2c1
InChIInChI=1S/C13H14N2O4/c1-15-10-7-8(12(16)17-2)3-4-9(10)11(14-15)13-18-5-6-19-13/h3-4,7,13H,5-6H2,1-2H3
InChIKeySWXZQFYVLFVVOE-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.41
Rot. Bonds2

About methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate

methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate (PubChem CID 142606640) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate
PubChem CID142606640
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Namemethyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C3OCCO3)nn(C)c2c1
InChIInChI=1S/C13H14N2O4/c1-15-10-7-8(12(16)17-2)3-4-9(10)11(14-15)13-18-5-6-19-13/h3-4,7,13H,5-6H2,1-2H3
InChIKeySWXZQFYVLFVVOE-UHFFFAOYSA-N
XLogP1.41
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate
CID 156503325
methyl 3-cyclopentyl-1-methylindazole-5-carboxylate
CID 171772847
methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate
CID 175951142
methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate
CID 19084962
methyl 3-(2-hydroxyethyl)-1-methylindazole-5-carboxylate
CID 171772859
methyl 4-(4-methyl-1,4,5-triazatricyclo[5.2.2.02,6]undeca-2,5-dien-3-yl)benzoate
CID 84613359
methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate
CID 59626191
methyl 5-methylpyrido[4,3-b]indole-7-carboxylate
CID 116986202
methyl 3-(oxan-2-ylmethyl)benzimidazole-5-carboxylate
CID 175810663
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
methyl 3-methyl-1,2-benzoxazole-6-carboxylate
CID 22610095
methyl 5,8-diiodonaphthalene-2-carboxylate
CID 121007649

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate?
The IUPAC name of methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate (CID 142606640) is methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate.
What is the SMILES notation for methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate?
The canonical SMILES for methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate is COC(=O)c1ccc2c(C3OCCO3)nn(C)c2c1.
What is the InChIKey of methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate?
The InChIKey is SWXZQFYVLFVVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-15-10-7-8(12(16)17-2)3-4-9(10)11(14-15)13-18-5-6-19-13/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate?
methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate is sourced from PubChem (CID 142606640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).