5-bromo-3,4-dichloro-2-(fluoromethyl)indazole

C8H4BrCl2FN2 — CID 146308000

IUPAC5-bromo-3,4-dichloro-2-(fluoromethyl)indazole
SMILESFCn1nc2ccc(Br)c(Cl)c2c1Cl
InChIInChI=1S/C8H4BrCl2FN2/c9-4-1-2-5-6(7(4)10)8(11)14(3-12)13-5/h1-2H,3H2
InChIKeyUKECFHNNVJCVKI-UHFFFAOYSA-N
MW297.94 g/mol
LogP4.03
Rot. Bonds1

About 5-bromo-3,4-dichloro-2-(fluoromethyl)indazole

5-bromo-3,4-dichloro-2-(fluoromethyl)indazole (PubChem CID 146308000) has the molecular formula C8H4BrCl2FN2 and a molecular weight of 297.94 g/mol. Its IUPAC name is 5-bromo-3,4-dichloro-2-(fluoromethyl)indazole.

Molecular Properties

Compound Name5-bromo-3,4-dichloro-2-(fluoromethyl)indazole
PubChem CID146308000
Molecular FormulaC8H4BrCl2FN2
Molecular Weight297.94 g/mol
Exact Mass295.89
IUPAC Name5-bromo-3,4-dichloro-2-(fluoromethyl)indazole
SMILESFCn1nc2ccc(Br)c(Cl)c2c1Cl
InChIInChI=1S/C8H4BrCl2FN2/c9-4-1-2-5-6(7(4)10)8(11)14(3-12)13-5/h1-2H,3H2
InChIKeyUKECFHNNVJCVKI-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.94
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,4-dichloro-2-(fluoromethyl)indazole?
The IUPAC name of 5-bromo-3,4-dichloro-2-(fluoromethyl)indazole (CID 146308000) is 5-bromo-3,4-dichloro-2-(fluoromethyl)indazole.
What is the SMILES notation for 5-bromo-3,4-dichloro-2-(fluoromethyl)indazole?
The canonical SMILES for 5-bromo-3,4-dichloro-2-(fluoromethyl)indazole is FCn1nc2ccc(Br)c(Cl)c2c1Cl.
What is the InChIKey of 5-bromo-3,4-dichloro-2-(fluoromethyl)indazole?
The InChIKey is UKECFHNNVJCVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl2FN2/c9-4-1-2-5-6(7(4)10)8(11)14(3-12)13-5/h1-2H,3H2.
What are the key properties of 5-bromo-3,4-dichloro-2-(fluoromethyl)indazole?
5-bromo-3,4-dichloro-2-(fluoromethyl)indazole has a molecular weight of 297.94 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,4-dichloro-2-(fluoromethyl)indazole is sourced from PubChem (CID 146308000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).