7-bromo-6-ethoxy-1H-indazole

C9H9BrN2O — CID 171662309

IUPAC7-bromo-6-ethoxy-1H-indazole
SMILESCCOc1ccc2cn[nH]c2c1Br
InChIInChI=1S/C9H9BrN2O/c1-2-13-7-4-3-6-5-11-12-9(6)8(7)10/h3-5H,2H2,1H3,(H,11,12)
InChIKeyNPGHKICYTPLVOI-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.72
Rot. Bonds2

About 7-bromo-6-ethoxy-1H-indazole

7-bromo-6-ethoxy-1H-indazole (PubChem CID 171662309) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 7-bromo-6-ethoxy-1H-indazole.

Molecular Properties

Compound Name7-bromo-6-ethoxy-1H-indazole
PubChem CID171662309
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name7-bromo-6-ethoxy-1H-indazole
SMILESCCOc1ccc2cn[nH]c2c1Br
InChIInChI=1S/C9H9BrN2O/c1-2-13-7-4-3-6-5-11-12-9(6)8(7)10/h3-5H,2H2,1H3,(H,11,12)
InChIKeyNPGHKICYTPLVOI-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

3,4-diethoxy-N-(1H-indazol-7-yl)benzenesulfonamide
CID 24654006
2-bromo-3-ethoxy-6-fluorophenol
CID 119019688
7-ethyl-6-methyl-1H-indazole
CID 134184119
4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine
CID 117309607
6-propan-2-yl-1H-indazol-7-ol
CID 76846047
7-ethyl-6-fluoro-1H-indazole
CID 130384228
6-bromo-1H-indazol-7-amine
CID 141078676
6-bromo-7-iodo-1H-indazole
CID 171662481
5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2793044
2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene
CID 54514286
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide
CID 46417867
N-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide
CID 167908620

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-ethoxy-1H-indazole?
The IUPAC name of 7-bromo-6-ethoxy-1H-indazole (CID 171662309) is 7-bromo-6-ethoxy-1H-indazole.
What is the SMILES notation for 7-bromo-6-ethoxy-1H-indazole?
The canonical SMILES for 7-bromo-6-ethoxy-1H-indazole is CCOc1ccc2cn[nH]c2c1Br.
What is the InChIKey of 7-bromo-6-ethoxy-1H-indazole?
The InChIKey is NPGHKICYTPLVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-2-13-7-4-3-6-5-11-12-9(6)8(7)10/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 7-bromo-6-ethoxy-1H-indazole?
7-bromo-6-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 7-bromo-6-ethoxy-1H-indazole is sourced from PubChem (CID 171662309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).