3-chloro-4-iodo-2H-indazol-6-ol

C7H4ClIN2O — CID 135890247

IUPAC3-chloro-4-iodo-2H-indazol-6-ol
SMILESOc1cc(I)c2c(Cl)[nH]nc2c1
InChIInChI=1S/C7H4ClIN2O/c8-7-6-4(9)1-3(12)2-5(6)10-11-7/h1-2,12H,(H,10,11)
InChIKeyGVHLMAUJZDVMQT-UHFFFAOYSA-N
MW294.48 g/mol
LogP2.53
Rot. Bonds

About 3-chloro-4-iodo-2H-indazol-6-ol

3-chloro-4-iodo-2H-indazol-6-ol (PubChem CID 135890247) has the molecular formula C7H4ClIN2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 3-chloro-4-iodo-2H-indazol-6-ol.

Molecular Properties

Compound Name3-chloro-4-iodo-2H-indazol-6-ol
PubChem CID135890247
Molecular FormulaC7H4ClIN2O
Molecular Weight294.48 g/mol
Exact Mass293.91
IUPAC Name3-chloro-4-iodo-2H-indazol-6-ol
SMILESOc1cc(I)c2c(Cl)[nH]nc2c1
InChIInChI=1S/C7H4ClIN2O/c8-7-6-4(9)1-3(12)2-5(6)10-11-7/h1-2,12H,(H,10,11)
InChIKeyGVHLMAUJZDVMQT-UHFFFAOYSA-N
XLogP2.53
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.53
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 3-chloro-4-iodo-2H-indazol-6-ol?
The IUPAC name of 3-chloro-4-iodo-2H-indazol-6-ol (CID 135890247) is 3-chloro-4-iodo-2H-indazol-6-ol.
What is the SMILES notation for 3-chloro-4-iodo-2H-indazol-6-ol?
The canonical SMILES for 3-chloro-4-iodo-2H-indazol-6-ol is Oc1cc(I)c2c(Cl)[nH]nc2c1.
What is the InChIKey of 3-chloro-4-iodo-2H-indazol-6-ol?
The InChIKey is GVHLMAUJZDVMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2O/c8-7-6-4(9)1-3(12)2-5(6)10-11-7/h1-2,12H,(H,10,11).
What are the key properties of 3-chloro-4-iodo-2H-indazol-6-ol?
3-chloro-4-iodo-2H-indazol-6-ol has a molecular weight of 294.48 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-2H-indazol-6-ol is sourced from PubChem (CID 135890247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).