6-bromo-1-ethyl-3-iodoindazole

C9H8BrIN2 — CID 138734319

IUPAC6-bromo-1-ethyl-3-iodoindazole
SMILESCCn1nc(I)c2ccc(Br)cc21
InChIInChI=1S/C9H8BrIN2/c1-2-13-8-5-6(10)3-4-7(8)9(11)12-13/h3-5H,2H2,1H3
InChIKeyIMFRRGRGBWSVLX-UHFFFAOYSA-N
MW350.99 g/mol
LogP3.42
Rot. Bonds1

About 6-bromo-1-ethyl-3-iodoindazole

6-bromo-1-ethyl-3-iodoindazole (PubChem CID 138734319) has the molecular formula C9H8BrIN2 and a molecular weight of 350.99 g/mol. Its IUPAC name is 6-bromo-1-ethyl-3-iodoindazole.

Molecular Properties

Compound Name6-bromo-1-ethyl-3-iodoindazole
PubChem CID138734319
Molecular FormulaC9H8BrIN2
Molecular Weight350.99 g/mol
Exact Mass349.89
IUPAC Name6-bromo-1-ethyl-3-iodoindazole
SMILESCCn1nc(I)c2ccc(Br)cc21
InChIInChI=1S/C9H8BrIN2/c1-2-13-8-5-6(10)3-4-7(8)9(11)12-13/h3-5H,2H2,1H3
InChIKeyIMFRRGRGBWSVLX-UHFFFAOYSA-N
XLogP3.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.99
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-ethyl-3-iodoindazole?
The IUPAC name of 6-bromo-1-ethyl-3-iodoindazole (CID 138734319) is 6-bromo-1-ethyl-3-iodoindazole.
What is the SMILES notation for 6-bromo-1-ethyl-3-iodoindazole?
The canonical SMILES for 6-bromo-1-ethyl-3-iodoindazole is CCn1nc(I)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-ethyl-3-iodoindazole?
The InChIKey is IMFRRGRGBWSVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrIN2/c1-2-13-8-5-6(10)3-4-7(8)9(11)12-13/h3-5H,2H2,1H3.
What are the key properties of 6-bromo-1-ethyl-3-iodoindazole?
6-bromo-1-ethyl-3-iodoindazole has a molecular weight of 350.99 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-ethyl-3-iodoindazole is sourced from PubChem (CID 138734319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).