4-bromo-1H-indazol-5-ol

C7H5BrN2O — CID 22934108

IUPAC4-bromo-1H-indazol-5-ol
SMILESOc1ccc2[nH]ncc2c1Br
InChIInChI=1S/C7H5BrN2O/c8-7-4-3-9-10-5(4)1-2-6(7)11/h1-3,11H,(H,9,10)
InChIKeyNKQAGTMAIUMWOY-UHFFFAOYSA-N
MW213.03 g/mol
LogP2.03
Rot. Bonds

About 4-bromo-1H-indazol-5-ol

4-bromo-1H-indazol-5-ol (PubChem CID 22934108) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 4-bromo-1H-indazol-5-ol.

Molecular Properties

Compound Name4-bromo-1H-indazol-5-ol
PubChem CID22934108
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name4-bromo-1H-indazol-5-ol
SMILESOc1ccc2[nH]ncc2c1Br
InChIInChI=1S/C7H5BrN2O/c8-7-4-3-9-10-5(4)1-2-6(7)11/h1-3,11H,(H,9,10)
InChIKeyNKQAGTMAIUMWOY-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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Related Compounds

1H-Indazol-5-ol
CID 101438
3-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenol
CID 130335524
6-Bromo-5-methoxy-1H-indazole
CID 56971654
6-Bromo-1H-indazol-5-ol
CID 59159946
6-fluoro-1H-indazol-5-ol
CID 76846012
7-fluoro-1H-indazol-5-ol
CID 76846014
6-Bromo-1H-indazol-4-ol
CID 135742435
5-Bromo-1H-indazol-6-ol
CID 135742438
3-Bromo-1H-indazol-5-ol
CID 24728254
4-Fluoro-1H-indazol-5-OL
CID 22933665
4-Bromo-5-(trifluoromethoxy)-1H-indazole
CID 156117384
4-bromo-6-fluoro-5-methoxy-1H-indazole
CID 163220751

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-indazol-5-ol?
The IUPAC name of 4-bromo-1H-indazol-5-ol (CID 22934108) is 4-bromo-1H-indazol-5-ol.
What is the SMILES notation for 4-bromo-1H-indazol-5-ol?
The canonical SMILES for 4-bromo-1H-indazol-5-ol is Oc1ccc2[nH]ncc2c1Br.
What is the InChIKey of 4-bromo-1H-indazol-5-ol?
The InChIKey is NKQAGTMAIUMWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-7-4-3-9-10-5(4)1-2-6(7)11/h1-3,11H,(H,9,10).
What are the key properties of 4-bromo-1H-indazol-5-ol?
4-bromo-1H-indazol-5-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 4-bromo-1H-indazol-5-ol is sourced from PubChem (CID 22934108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).