5-bromo-1-[(4-chlorophenyl)methyl]indazole

C14H10BrClN2 — CID 59148056

IUPAC5-bromo-1-[(4-chlorophenyl)methyl]indazole
SMILESClc1ccc(Cn2ncc3cc(Br)ccc32)cc1
InChIInChI=1S/C14H10BrClN2/c15-12-3-6-14-11(7-12)8-17-18(14)9-10-1-4-13(16)5-2-10/h1-8H,9H2
InChIKeyNZQXMOJNKNMFQE-UHFFFAOYSA-N
MW321.61 g/mol
LogP4.50
Rot. Bonds2

About 5-bromo-1-[(4-chlorophenyl)methyl]indazole

5-bromo-1-[(4-chlorophenyl)methyl]indazole (PubChem CID 59148056) has the molecular formula C14H10BrClN2 and a molecular weight of 321.61 g/mol. Its IUPAC name is 5-bromo-1-[(4-chlorophenyl)methyl]indazole.

Molecular Properties

Compound Name5-bromo-1-[(4-chlorophenyl)methyl]indazole
PubChem CID59148056
Molecular FormulaC14H10BrClN2
Molecular Weight321.61 g/mol
Exact Mass319.97
IUPAC Name5-bromo-1-[(4-chlorophenyl)methyl]indazole
SMILESClc1ccc(Cn2ncc3cc(Br)ccc32)cc1
InChIInChI=1S/C14H10BrClN2/c15-12-3-6-14-11(7-12)8-17-18(14)9-10-1-4-13(16)5-2-10/h1-8H,9H2
InChIKeyNZQXMOJNKNMFQE-UHFFFAOYSA-N
XLogP4.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.61
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-chlorophenyl)methyl]indazole?
The IUPAC name of 5-bromo-1-[(4-chlorophenyl)methyl]indazole (CID 59148056) is 5-bromo-1-[(4-chlorophenyl)methyl]indazole.
What is the SMILES notation for 5-bromo-1-[(4-chlorophenyl)methyl]indazole?
The canonical SMILES for 5-bromo-1-[(4-chlorophenyl)methyl]indazole is Clc1ccc(Cn2ncc3cc(Br)ccc32)cc1.
What is the InChIKey of 5-bromo-1-[(4-chlorophenyl)methyl]indazole?
The InChIKey is NZQXMOJNKNMFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2/c15-12-3-6-14-11(7-12)8-17-18(14)9-10-1-4-13(16)5-2-10/h1-8H,9H2.
What are the key properties of 5-bromo-1-[(4-chlorophenyl)methyl]indazole?
5-bromo-1-[(4-chlorophenyl)methyl]indazole has a molecular weight of 321.61 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-chlorophenyl)methyl]indazole is sourced from PubChem (CID 59148056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).