5-bromo-7-chloro-3-ethyl-2H-indazole

C9H8BrClN2 — CID 66920547

IUPAC5-bromo-7-chloro-3-ethyl-2H-indazole
SMILESCCc1[nH]nc2c(Cl)cc(Br)cc12
InChIInChI=1S/C9H8BrClN2/c1-2-8-6-3-5(10)4-7(11)9(6)13-12-8/h3-4H,2H2,1H3,(H,12,13)
InChIKeyYFVHKALKFACQRT-UHFFFAOYSA-N
MW259.53 g/mol
LogP3.54
Rot. Bonds1

About 5-bromo-7-chloro-3-ethyl-2H-indazole

5-bromo-7-chloro-3-ethyl-2H-indazole (PubChem CID 66920547) has the molecular formula C9H8BrClN2 and a molecular weight of 259.53 g/mol. Its IUPAC name is 5-bromo-7-chloro-3-ethyl-2H-indazole.

Molecular Properties

Compound Name5-bromo-7-chloro-3-ethyl-2H-indazole
PubChem CID66920547
Molecular FormulaC9H8BrClN2
Molecular Weight259.53 g/mol
Exact Mass257.96
IUPAC Name5-bromo-7-chloro-3-ethyl-2H-indazole
SMILESCCc1[nH]nc2c(Cl)cc(Br)cc12
InChIInChI=1S/C9H8BrClN2/c1-2-8-6-3-5(10)4-7(11)9(6)13-12-8/h3-4H,2H2,1H3,(H,12,13)
InChIKeyYFVHKALKFACQRT-UHFFFAOYSA-N
XLogP3.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-3-ethyl-2H-indazole?
The IUPAC name of 5-bromo-7-chloro-3-ethyl-2H-indazole (CID 66920547) is 5-bromo-7-chloro-3-ethyl-2H-indazole.
What is the SMILES notation for 5-bromo-7-chloro-3-ethyl-2H-indazole?
The canonical SMILES for 5-bromo-7-chloro-3-ethyl-2H-indazole is CCc1[nH]nc2c(Cl)cc(Br)cc12.
What is the InChIKey of 5-bromo-7-chloro-3-ethyl-2H-indazole?
The InChIKey is YFVHKALKFACQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2/c1-2-8-6-3-5(10)4-7(11)9(6)13-12-8/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 5-bromo-7-chloro-3-ethyl-2H-indazole?
5-bromo-7-chloro-3-ethyl-2H-indazole has a molecular weight of 259.53 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-3-ethyl-2H-indazole is sourced from PubChem (CID 66920547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).