tert-butyl 3-methoxy-6-methylindazole-1-carboxylate

C14H18N2O3 — CID 70660035

IUPACtert-butyl 3-methoxy-6-methylindazole-1-carboxylate
SMILESCOc1nn(C(=O)OC(C)(C)C)c2cc(C)ccc12
InChIInChI=1S/C14H18N2O3/c1-9-6-7-10-11(8-9)16(15-12(10)18-5)13(17)19-14(2,3)4/h6-8H,1-5H3
InChIKeyQBQJCIKXZGYBJU-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.14
Rot. Bonds1

About tert-butyl 3-methoxy-6-methylindazole-1-carboxylate

tert-butyl 3-methoxy-6-methylindazole-1-carboxylate (PubChem CID 70660035) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is tert-butyl 3-methoxy-6-methylindazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methoxy-6-methylindazole-1-carboxylate
PubChem CID70660035
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nametert-butyl 3-methoxy-6-methylindazole-1-carboxylate
SMILESCOc1nn(C(=O)OC(C)(C)C)c2cc(C)ccc12
InChIInChI=1S/C14H18N2O3/c1-9-6-7-10-11(8-9)16(15-12(10)18-5)13(17)19-14(2,3)4/h6-8H,1-5H3
InChIKeyQBQJCIKXZGYBJU-UHFFFAOYSA-N
XLogP3.14
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methoxy-6-methylindazole-1-carboxylate?
The IUPAC name of tert-butyl 3-methoxy-6-methylindazole-1-carboxylate (CID 70660035) is tert-butyl 3-methoxy-6-methylindazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methoxy-6-methylindazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-methoxy-6-methylindazole-1-carboxylate is COc1nn(C(=O)OC(C)(C)C)c2cc(C)ccc12.
What is the InChIKey of tert-butyl 3-methoxy-6-methylindazole-1-carboxylate?
The InChIKey is QBQJCIKXZGYBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-6-7-10-11(8-9)16(15-12(10)18-5)13(17)19-14(2,3)4/h6-8H,1-5H3.
What are the key properties of tert-butyl 3-methoxy-6-methylindazole-1-carboxylate?
tert-butyl 3-methoxy-6-methylindazole-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methoxy-6-methylindazole-1-carboxylate is sourced from PubChem (CID 70660035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).