5-bromo-3-ethoxy-1H-indazole

C9H9BrN2O — CID 90109129

IUPAC5-bromo-3-ethoxy-1H-indazole
SMILESCCOc1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C9H9BrN2O/c1-2-13-9-7-5-6(10)3-4-8(7)11-12-9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyXUFBPOSIYNSFNX-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.72
Rot. Bonds2

About 5-bromo-3-ethoxy-1H-indazole

5-bromo-3-ethoxy-1H-indazole (PubChem CID 90109129) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 5-bromo-3-ethoxy-1H-indazole.

Molecular Properties

Compound Name5-bromo-3-ethoxy-1H-indazole
PubChem CID90109129
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name5-bromo-3-ethoxy-1H-indazole
SMILESCCOc1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C9H9BrN2O/c1-2-13-9-7-5-6(10)3-4-8(7)11-12-9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyXUFBPOSIYNSFNX-UHFFFAOYSA-N
XLogP2.72
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-6-methoxy-1H-indazole
CID 15278593
3-[(4-methoxyphenyl)methoxy]-1H-indazole
CID 154487474
1-Propanamine, 3-(1H-indazol-3-yloxy)-N,N-dimethyl-
CID 10220074
6-(3-bromophenoxy)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 21877478
3-phenylmethoxy-1H-indazole
CID 42603593
3-methoxy-1H-indazole
CID 519581
5-bromo-4-methoxy-1H-indazole
CID 23134564
5-bromo-3-methoxy-1H-indazole
CID 59831760
3-methoxy-1H-indazol-5-amine
CID 74891104
3-(1,1,2,2-Tetrafluoroethoxy)indazole
CID 129877356
3-Ethoxy-1H-indazole
CID 13143675
3-Vinyloxyindazole
CID 66892390

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethoxy-1H-indazole?
The IUPAC name of 5-bromo-3-ethoxy-1H-indazole (CID 90109129) is 5-bromo-3-ethoxy-1H-indazole.
What is the SMILES notation for 5-bromo-3-ethoxy-1H-indazole?
The canonical SMILES for 5-bromo-3-ethoxy-1H-indazole is CCOc1n[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-ethoxy-1H-indazole?
The InChIKey is XUFBPOSIYNSFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-2-13-9-7-5-6(10)3-4-8(7)11-12-9/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 5-bromo-3-ethoxy-1H-indazole?
5-bromo-3-ethoxy-1H-indazole has a molecular weight of 241.09 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethoxy-1H-indazole is sourced from PubChem (CID 90109129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).