4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole

C14H9BrClFN2 — CID 67186683

IUPAC4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole
SMILESFc1ccc(Cn2cc3c(Br)cccc3n2)cc1Cl
InChIInChI=1S/C14H9BrClFN2/c15-11-2-1-3-14-10(11)8-19(18-14)7-9-4-5-13(17)12(16)6-9/h1-6,8H,7H2
InChIKeyUDZGMRFYZCCIQM-UHFFFAOYSA-N
MW339.60 g/mol
LogP4.64
Rot. Bonds2

About 4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole

4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole (PubChem CID 67186683) has the molecular formula C14H9BrClFN2 and a molecular weight of 339.60 g/mol. Its IUPAC name is 4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole.

Molecular Properties

Compound Name4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole
PubChem CID67186683
Molecular FormulaC14H9BrClFN2
Molecular Weight339.60 g/mol
Exact Mass337.96
IUPAC Name4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole
SMILESFc1ccc(Cn2cc3c(Br)cccc3n2)cc1Cl
InChIInChI=1S/C14H9BrClFN2/c15-11-2-1-3-14-10(11)8-19(18-14)7-9-4-5-13(17)12(16)6-9/h1-6,8H,7H2
InChIKeyUDZGMRFYZCCIQM-UHFFFAOYSA-N
XLogP4.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.60
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole?
The IUPAC name of 4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole (CID 67186683) is 4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole.
What is the SMILES notation for 4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole?
The canonical SMILES for 4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole is Fc1ccc(Cn2cc3c(Br)cccc3n2)cc1Cl.
What is the InChIKey of 4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole?
The InChIKey is UDZGMRFYZCCIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2/c15-11-2-1-3-14-10(11)8-19(18-14)7-9-4-5-13(17)12(16)6-9/h1-6,8H,7H2.
What are the key properties of 4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole?
4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole has a molecular weight of 339.60 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-chloro-4-fluorophenyl)methyl]indazole is sourced from PubChem (CID 67186683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).