6-bromo-1H-indazol-4-ol

C7H5BrN2O — CID 135742435

IUPAC6-bromo-1H-indazol-4-ol
SMILESOc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C7H5BrN2O/c8-4-1-6-5(3-9-10-6)7(11)2-4/h1-3,11H,(H,9,10)
InChIKeyWJIKHAYEKFPYDN-UHFFFAOYSA-N
MW213.03 g/mol
LogP2.03
Rot. Bonds

About 6-bromo-1H-indazol-4-ol

6-bromo-1H-indazol-4-ol (PubChem CID 135742435) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 6-bromo-1H-indazol-4-ol.

Molecular Properties

Compound Name6-bromo-1H-indazol-4-ol
PubChem CID135742435
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name6-bromo-1H-indazol-4-ol
SMILESOc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C7H5BrN2O/c8-4-1-6-5(3-9-10-6)7(11)2-4/h1-3,11H,(H,9,10)
InChIKeyWJIKHAYEKFPYDN-UHFFFAOYSA-N
XLogP2.03
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indazol-4-ol?
The IUPAC name of 6-bromo-1H-indazol-4-ol (CID 135742435) is 6-bromo-1H-indazol-4-ol.
What is the SMILES notation for 6-bromo-1H-indazol-4-ol?
The canonical SMILES for 6-bromo-1H-indazol-4-ol is Oc1cc(Br)cc2[nH]ncc12.
What is the InChIKey of 6-bromo-1H-indazol-4-ol?
The InChIKey is WJIKHAYEKFPYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-4-1-6-5(3-9-10-6)7(11)2-4/h1-3,11H,(H,9,10).
What are the key properties of 6-bromo-1H-indazol-4-ol?
6-bromo-1H-indazol-4-ol has a molecular weight of 213.03 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-indazol-4-ol is sourced from PubChem (CID 135742435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).