5-bromo-3,4-dichloro-2-ethylindazole

C9H7BrCl2N2 — CID 151669356

IUPAC5-bromo-3,4-dichloro-2-ethylindazole
SMILESCCn1nc2ccc(Br)c(Cl)c2c1Cl
InChIInChI=1S/C9H7BrCl2N2/c1-2-14-9(12)7-6(13-14)4-3-5(10)8(7)11/h3-4H,2H2,1H3
InChIKeyQYFARBSTLZRILN-UHFFFAOYSA-N
MW293.98 g/mol
LogP4.13
Rot. Bonds1

About 5-bromo-3,4-dichloro-2-ethylindazole

5-bromo-3,4-dichloro-2-ethylindazole (PubChem CID 151669356) has the molecular formula C9H7BrCl2N2 and a molecular weight of 293.98 g/mol. Its IUPAC name is 5-bromo-3,4-dichloro-2-ethylindazole.

Molecular Properties

Compound Name5-bromo-3,4-dichloro-2-ethylindazole
PubChem CID151669356
Molecular FormulaC9H7BrCl2N2
Molecular Weight293.98 g/mol
Exact Mass291.92
IUPAC Name5-bromo-3,4-dichloro-2-ethylindazole
SMILESCCn1nc2ccc(Br)c(Cl)c2c1Cl
InChIInChI=1S/C9H7BrCl2N2/c1-2-14-9(12)7-6(13-14)4-3-5(10)8(7)11/h3-4H,2H2,1H3
InChIKeyQYFARBSTLZRILN-UHFFFAOYSA-N
XLogP4.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.98
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,4-dichloro-2-ethylindazole?
The IUPAC name of 5-bromo-3,4-dichloro-2-ethylindazole (CID 151669356) is 5-bromo-3,4-dichloro-2-ethylindazole.
What is the SMILES notation for 5-bromo-3,4-dichloro-2-ethylindazole?
The canonical SMILES for 5-bromo-3,4-dichloro-2-ethylindazole is CCn1nc2ccc(Br)c(Cl)c2c1Cl.
What is the InChIKey of 5-bromo-3,4-dichloro-2-ethylindazole?
The InChIKey is QYFARBSTLZRILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrCl2N2/c1-2-14-9(12)7-6(13-14)4-3-5(10)8(7)11/h3-4H,2H2,1H3.
What are the key properties of 5-bromo-3,4-dichloro-2-ethylindazole?
5-bromo-3,4-dichloro-2-ethylindazole has a molecular weight of 293.98 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,4-dichloro-2-ethylindazole is sourced from PubChem (CID 151669356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).