7-bromo-5-chloro-1H-indazole

C7H4BrClN2 — CID 26967621

IUPAC7-bromo-5-chloro-1H-indazole
SMILESClc1cc(Br)c2[nH]ncc2c1
InChIInChI=1S/C7H4BrClN2/c8-6-2-5(9)1-4-3-10-11-7(4)6/h1-3H,(H,10,11)
InChIKeyCTXAUTRSBNWONT-UHFFFAOYSA-N
MW231.48 g/mol
LogP2.98
Rot. Bonds

About 7-bromo-5-chloro-1H-indazole

7-bromo-5-chloro-1H-indazole (PubChem CID 26967621) has the molecular formula C7H4BrClN2 and a molecular weight of 231.48 g/mol. Its IUPAC name is 7-bromo-5-chloro-1H-indazole.

Molecular Properties

Compound Name7-bromo-5-chloro-1H-indazole
PubChem CID26967621
Molecular FormulaC7H4BrClN2
Molecular Weight231.48 g/mol
Exact Mass229.92
IUPAC Name7-bromo-5-chloro-1H-indazole
SMILESClc1cc(Br)c2[nH]ncc2c1
InChIInChI=1S/C7H4BrClN2/c8-6-2-5(9)1-4-3-10-11-7(4)6/h1-3H,(H,10,11)
InChIKeyCTXAUTRSBNWONT-UHFFFAOYSA-N
XLogP2.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-1H-indazole?
The IUPAC name of 7-bromo-5-chloro-1H-indazole (CID 26967621) is 7-bromo-5-chloro-1H-indazole.
What is the SMILES notation for 7-bromo-5-chloro-1H-indazole?
The canonical SMILES for 7-bromo-5-chloro-1H-indazole is Clc1cc(Br)c2[nH]ncc2c1.
What is the InChIKey of 7-bromo-5-chloro-1H-indazole?
The InChIKey is CTXAUTRSBNWONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN2/c8-6-2-5(9)1-4-3-10-11-7(4)6/h1-3H,(H,10,11).
What are the key properties of 7-bromo-5-chloro-1H-indazole?
7-bromo-5-chloro-1H-indazole has a molecular weight of 231.48 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-1H-indazole is sourced from PubChem (CID 26967621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).