4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine

C17H15BrClN3O — CID 155413165

IUPAC4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine
SMILESClc1cc(-c2ccc(N3CCOCC3)cc2)c(Br)c2[nH]ncc12
InChIInChI=1S/C17H15BrClN3O/c18-16-13(9-15(19)14-10-20-21-17(14)16)11-1-3-12(4-2-11)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H,20,21)
InChIKeyAWKZAEYAVFUBJP-UHFFFAOYSA-N
MW392.68 g/mol
LogP4.48
Rot. Bonds2

About 4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine

4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine (PubChem CID 155413165) has the molecular formula C17H15BrClN3O and a molecular weight of 392.68 g/mol. Its IUPAC name is 4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine
PubChem CID155413165
Molecular FormulaC17H15BrClN3O
Molecular Weight392.68 g/mol
Exact Mass391.01
IUPAC Name4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine
SMILESClc1cc(-c2ccc(N3CCOCC3)cc2)c(Br)c2[nH]ncc12
InChIInChI=1S/C17H15BrClN3O/c18-16-13(9-15(19)14-10-20-21-17(14)16)11-1-3-12(4-2-11)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H,20,21)
InChIKeyAWKZAEYAVFUBJP-UHFFFAOYSA-N
XLogP4.48
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine (CID 155413165) is 4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine is Clc1cc(-c2ccc(N3CCOCC3)cc2)c(Br)c2[nH]ncc12.
What is the InChIKey of 4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine?
The InChIKey is AWKZAEYAVFUBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O/c18-16-13(9-15(19)14-10-20-21-17(14)16)11-1-3-12(4-2-11)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H,20,21).
What are the key properties of 4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine?
4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine has a molecular weight of 392.68 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-bromo-4-chloro-1H-indazol-6-yl)phenyl]morpholine is sourced from PubChem (CID 155413165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).