(5-bromo-3-iodo-2H-indazol-7-yl)methanol

C8H6BrIN2O — CID 135319104

IUPAC(5-bromo-3-iodo-2H-indazol-7-yl)methanol
SMILESOCc1cc(Br)cc2c(I)[nH]nc12
InChIInChI=1S/C8H6BrIN2O/c9-5-1-4(3-13)7-6(2-5)8(10)12-11-7/h1-2,13H,3H2,(H,11,12)
InChIKeyZCXXJPKXPHIKEM-UHFFFAOYSA-N
MW352.96 g/mol
LogP2.42
Rot. Bonds1

About (5-bromo-3-iodo-2H-indazol-7-yl)methanol

(5-bromo-3-iodo-2H-indazol-7-yl)methanol (PubChem CID 135319104) has the molecular formula C8H6BrIN2O and a molecular weight of 352.96 g/mol. Its IUPAC name is (5-bromo-3-iodo-2H-indazol-7-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-iodo-2H-indazol-7-yl)methanol
PubChem CID135319104
Molecular FormulaC8H6BrIN2O
Molecular Weight352.96 g/mol
Exact Mass351.87
IUPAC Name(5-bromo-3-iodo-2H-indazol-7-yl)methanol
SMILESOCc1cc(Br)cc2c(I)[nH]nc12
InChIInChI=1S/C8H6BrIN2O/c9-5-1-4(3-13)7-6(2-5)8(10)12-11-7/h1-2,13H,3H2,(H,11,12)
InChIKeyZCXXJPKXPHIKEM-UHFFFAOYSA-N
XLogP2.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.96
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-iodo-2H-indazol-7-yl)methanol?
The IUPAC name of (5-bromo-3-iodo-2H-indazol-7-yl)methanol (CID 135319104) is (5-bromo-3-iodo-2H-indazol-7-yl)methanol.
What is the SMILES notation for (5-bromo-3-iodo-2H-indazol-7-yl)methanol?
The canonical SMILES for (5-bromo-3-iodo-2H-indazol-7-yl)methanol is OCc1cc(Br)cc2c(I)[nH]nc12.
What is the InChIKey of (5-bromo-3-iodo-2H-indazol-7-yl)methanol?
The InChIKey is ZCXXJPKXPHIKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrIN2O/c9-5-1-4(3-13)7-6(2-5)8(10)12-11-7/h1-2,13H,3H2,(H,11,12).
What are the key properties of (5-bromo-3-iodo-2H-indazol-7-yl)methanol?
(5-bromo-3-iodo-2H-indazol-7-yl)methanol has a molecular weight of 352.96 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-iodo-2H-indazol-7-yl)methanol is sourced from PubChem (CID 135319104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).