tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate

C12H14BrN3O2 — CID 118182563

IUPACtert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2cn[nH]c2cc1Br
InChIInChI=1S/C12H14BrN3O2/c1-12(2,3)18-11(17)15-10-4-7-6-14-16-9(7)5-8(10)13/h4-6H,1-3H3,(H,14,16)(H,15,17)
InChIKeyMSTCOTHOOSFIRZ-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.67
Rot. Bonds1

About tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate

tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate (PubChem CID 118182563) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate
PubChem CID118182563
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Nametert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2cn[nH]c2cc1Br
InChIInChI=1S/C12H14BrN3O2/c1-12(2,3)18-11(17)15-10-4-7-6-14-16-9(7)5-8(10)13/h4-6H,1-3H3,(H,14,16)(H,15,17)
InChIKeyMSTCOTHOOSFIRZ-UHFFFAOYSA-N
XLogP3.67
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate
CID 163333240
tert-butyl N-(1H-indazol-5-ylmethyl)carbamate
CID 59462463
tert-butyl N-(2-bromo-5-chloro-4-fluorophenyl)carbamate
CID 69110389
tert-butyl N-(4-formyl-1H-pyrazol-5-yl)carbamate
CID 20624447
N-(5-bromo-1H-indazol-6-yl)formamide
CID 168653243
tert-butyl N-(2-bromo-4-methylsulfanylphenyl)carbamate
CID 167736245
tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate
CID 155702377
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-[2-bromo-5-(hydroxymethyl)phenyl]carbamate
CID 117236636
2-bromo-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 127019234
tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate
CID 123462031

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate (CID 118182563) is tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate is CC(C)(C)OC(=O)Nc1cc2cn[nH]c2cc1Br.
What is the InChIKey of tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate?
The InChIKey is MSTCOTHOOSFIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-12(2,3)18-11(17)15-10-4-7-6-14-16-9(7)5-8(10)13/h4-6H,1-3H3,(H,14,16)(H,15,17).
What are the key properties of tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate?
tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate has a molecular weight of 312.17 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate is sourced from PubChem (CID 118182563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).