5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole

C14H9Br2ClN4 — CID 159642782

IUPAC5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole
SMILESBrc1ccc2[nH]ncc2c1.Clc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C7H4BrClN2.C7H5BrN2/c8-4-1-2-6-5(3-4)7(9)11-10-6;8-6-1-2-7-5(3-6)4-9-10-7/h1-3H,(H,10,11);1-4H,(H,9,10)
InChIKeyMQOKLUXPGQHCQM-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.30
Rot. Bonds

About 5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole

5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole (PubChem CID 159642782) has the molecular formula C14H9Br2ClN4 and a molecular weight of 428.52 g/mol. Its IUPAC name is 5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole.

Molecular Properties

Compound Name5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole
PubChem CID159642782
Molecular FormulaC14H9Br2ClN4
Molecular Weight428.52 g/mol
Exact Mass425.89
IUPAC Name5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole
SMILESBrc1ccc2[nH]ncc2c1.Clc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C7H4BrClN2.C7H5BrN2/c8-4-1-2-6-5(3-4)7(9)11-10-6;8-6-1-2-7-5(3-6)4-9-10-7/h1-3H,(H,10,11);1-4H,(H,9,10)
InChIKeyMQOKLUXPGQHCQM-UHFFFAOYSA-N
XLogP5.30
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 53445851
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole?
The IUPAC name of 5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole (CID 159642782) is 5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole.
What is the SMILES notation for 5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole?
The canonical SMILES for 5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole is Brc1ccc2[nH]ncc2c1.Clc1[nH]nc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole?
The InChIKey is MQOKLUXPGQHCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN2.C7H5BrN2/c8-4-1-2-6-5(3-4)7(9)11-10-6;8-6-1-2-7-5(3-6)4-9-10-7/h1-3H,(H,10,11);1-4H,(H,9,10).
What are the key properties of 5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole?
5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole has a molecular weight of 428.52 g/mol, XLogP of 5.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2H-indazole;5-bromo-1H-indazole is sourced from PubChem (CID 159642782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).