2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol

C14H9Br2N3O — CID 1087466

IUPAC2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H9Br2N3O/c15-10-3-9(14(20)12(16)5-10)6-17-11-1-2-13-8(4-11)7-18-19-13/h1-7,20H,(H,18,19)/b17-6+
InChIKeyPVDFUUOBJHKMRT-UBKPWBPPSA-N
MW395.05 g/mol
LogP4.54
Rot. Bonds2

About 2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol

2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol (PubChem CID 1087466) has the molecular formula C14H9Br2N3O and a molecular weight of 395.05 g/mol. Its IUPAC name is 2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol
PubChem CID1087466
Molecular FormulaC14H9Br2N3O
Molecular Weight395.05 g/mol
Exact Mass392.91
IUPAC Name2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H9Br2N3O/c15-10-3-9(14(20)12(16)5-10)6-17-11-1-2-13-8(4-11)7-18-19-13/h1-7,20H,(H,18,19)/b17-6+
InChIKeyPVDFUUOBJHKMRT-UBKPWBPPSA-N
XLogP4.54
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.05
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol (CID 1087466) is 2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol is Oc1c(Br)cc(Br)cc1/C=N/c1ccc2[nH]ncc2c1.
What is the InChIKey of 2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol?
The InChIKey is PVDFUUOBJHKMRT-UBKPWBPPSA-N. The full InChI is InChI=1S/C14H9Br2N3O/c15-10-3-9(14(20)12(16)5-10)6-17-11-1-2-13-8(4-11)7-18-19-13/h1-7,20H,(H,18,19)/b17-6+.
What are the key properties of 2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol?
2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol has a molecular weight of 395.05 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(1H-indazol-5-yliminomethyl)phenol is sourced from PubChem (CID 1087466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).