tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate

C13H16BrN3O2 — CID 91066797

IUPACtert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1n[nH]c2cc(Br)ccc12
InChIInChI=1S/C13H16BrN3O2/c1-13(2,3)19-12(18)17(4)11-9-6-5-8(14)7-10(9)15-16-11/h5-7H,1-4H3,(H,15,16)
InChIKeyMDFCHRFMLCZULG-UHFFFAOYSA-N
MW326.19 g/mol
LogP3.70
Rot. Bonds1

About tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate

tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate (PubChem CID 91066797) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate
PubChem CID91066797
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Nametert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1n[nH]c2cc(Br)ccc12
InChIInChI=1S/C13H16BrN3O2/c1-13(2,3)19-12(18)17(4)11-9-6-5-8(14)7-10(9)15-16-11/h5-7H,1-4H3,(H,15,16)
InChIKeyMDFCHRFMLCZULG-UHFFFAOYSA-N
XLogP3.70
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-amino-4-bromophenyl)-N-methylcarbamate
CID 103694246
tert-butyl N-(5-bromo-4-cyano-1H-pyrazol-3-yl)-N-methylcarbamate
CID 168927877
tert-butyl N-(6-amino-1,2-benzoxazol-3-yl)-N-methylcarbamate
CID 155113166
tert-butyl N-amino-N-(6-bromoisoquinolin-1-yl)carbamate
CID 174579707
tert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate
CID 142603811
tert-butyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromoindazole-1-carboxylate
CID 58504780
tert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate
CID 155113636
tert-butyl N-[2-(6-bromo-1H-indol-3-yl)ethyl]-N-(dimethylsulfamoyl)carbamate
CID 166911546
tert-butyl N-[3-(bromomethyl)-2-pyridinyl]-N-methylcarbamate
CID 141274850
tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate
CID 89243683
2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid
CID 84712811
tert-butyl N-[(4-bromo-2-pyridinyl)methyl]-N-methylcarbamate
CID 133062977

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate (CID 91066797) is tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1n[nH]c2cc(Br)ccc12.
What is the InChIKey of tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate?
The InChIKey is MDFCHRFMLCZULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-13(2,3)19-12(18)17(4)11-9-6-5-8(14)7-10(9)15-16-11/h5-7H,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate?
tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate has a molecular weight of 326.19 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate is sourced from PubChem (CID 91066797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).