4-bromo-6-chloro-2-ethylindazole

C9H8BrClN2 — CID 167501661

IUPAC4-bromo-6-chloro-2-ethylindazole
SMILESCCn1cc2c(Br)cc(Cl)cc2n1
InChIInChI=1S/C9H8BrClN2/c1-2-13-5-7-8(10)3-6(11)4-9(7)12-13/h3-5H,2H2,1H3
InChIKeyICQGFOXJQHULSC-UHFFFAOYSA-N
MW259.53 g/mol
LogP3.47
Rot. Bonds1

About 4-bromo-6-chloro-2-ethylindazole

4-bromo-6-chloro-2-ethylindazole (PubChem CID 167501661) has the molecular formula C9H8BrClN2 and a molecular weight of 259.53 g/mol. Its IUPAC name is 4-bromo-6-chloro-2-ethylindazole.

Molecular Properties

Compound Name4-bromo-6-chloro-2-ethylindazole
PubChem CID167501661
Molecular FormulaC9H8BrClN2
Molecular Weight259.53 g/mol
Exact Mass257.96
IUPAC Name4-bromo-6-chloro-2-ethylindazole
SMILESCCn1cc2c(Br)cc(Cl)cc2n1
InChIInChI=1S/C9H8BrClN2/c1-2-13-5-7-8(10)3-6(11)4-9(7)12-13/h3-5H,2H2,1H3
InChIKeyICQGFOXJQHULSC-UHFFFAOYSA-N
XLogP3.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-2-ethylindazole?
The IUPAC name of 4-bromo-6-chloro-2-ethylindazole (CID 167501661) is 4-bromo-6-chloro-2-ethylindazole.
What is the SMILES notation for 4-bromo-6-chloro-2-ethylindazole?
The canonical SMILES for 4-bromo-6-chloro-2-ethylindazole is CCn1cc2c(Br)cc(Cl)cc2n1.
What is the InChIKey of 4-bromo-6-chloro-2-ethylindazole?
The InChIKey is ICQGFOXJQHULSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2/c1-2-13-5-7-8(10)3-6(11)4-9(7)12-13/h3-5H,2H2,1H3.
What are the key properties of 4-bromo-6-chloro-2-ethylindazole?
4-bromo-6-chloro-2-ethylindazole has a molecular weight of 259.53 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-2-ethylindazole is sourced from PubChem (CID 167501661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).