2-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol

C14H9BrClN3O — CID 1087468

IUPAC2-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol
SMILESOc1c(Br)cc(Cl)cc1/C=N/c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H9BrClN3O/c15-12-5-10(16)3-9(14(12)20)6-17-11-1-2-13-8(4-11)7-18-19-13/h1-7,20H,(H,18,19)/b17-6+
InChIKeyDZHXMNKNVBEPEK-UBKPWBPPSA-N
MW350.60 g/mol
LogP4.43
Rot. Bonds2

About 2-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol

2-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol (PubChem CID 1087468) has the molecular formula C14H9BrClN3O and a molecular weight of 350.60 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol.

Molecular Properties

Compound Name2-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol
PubChem CID1087468
Molecular FormulaC14H9BrClN3O
Molecular Weight350.60 g/mol
Exact Mass348.96
IUPAC Name2-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol
SMILESOc1c(Br)cc(Cl)cc1/C=N/c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H9BrClN3O/c15-12-5-10(16)3-9(14(12)20)6-17-11-1-2-13-8(4-11)7-18-19-13/h1-7,20H,(H,18,19)/b17-6+
InChIKeyDZHXMNKNVBEPEK-UBKPWBPPSA-N
XLogP4.43
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 54.43
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-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol?
The IUPAC name of 2-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol (CID 1087468) is 2-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol.
What is the SMILES notation for 2-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol?
The canonical SMILES for 2-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol is Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2[nH]ncc2c1.
What is the InChIKey of 2-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol?
The InChIKey is DZHXMNKNVBEPEK-UBKPWBPPSA-N. The full InChI is InChI=1S/C14H9BrClN3O/c15-12-5-10(16)3-9(14(12)20)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-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol?
2-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol has a molecular weight of 350.60 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-(1H-indazol-5-yliminomethyl)phenol is sourced from PubChem (CID 1087468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).