5-bromo-4-chloro-7-fluoro-2-methylindazole

C8H5BrClFN2 — CID 146307835

IUPAC5-bromo-4-chloro-7-fluoro-2-methylindazole
SMILESCn1cc2c(Cl)c(Br)cc(F)c2n1
InChIInChI=1S/C8H5BrClFN2/c1-13-3-4-7(10)5(9)2-6(11)8(4)12-13/h2-3H,1H3
InChIKeyYESLYKMEOLCSIS-UHFFFAOYSA-N
MW263.50 g/mol
LogP3.13
Rot. Bonds

About 5-bromo-4-chloro-7-fluoro-2-methylindazole

5-bromo-4-chloro-7-fluoro-2-methylindazole (PubChem CID 146307835) has the molecular formula C8H5BrClFN2 and a molecular weight of 263.50 g/mol. Its IUPAC name is 5-bromo-4-chloro-7-fluoro-2-methylindazole.

Molecular Properties

Compound Name5-bromo-4-chloro-7-fluoro-2-methylindazole
PubChem CID146307835
Molecular FormulaC8H5BrClFN2
Molecular Weight263.50 g/mol
Exact Mass261.93
IUPAC Name5-bromo-4-chloro-7-fluoro-2-methylindazole
SMILESCn1cc2c(Cl)c(Br)cc(F)c2n1
InChIInChI=1S/C8H5BrClFN2/c1-13-3-4-7(10)5(9)2-6(11)8(4)12-13/h2-3H,1H3
InChIKeyYESLYKMEOLCSIS-UHFFFAOYSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.50
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-7-fluoro-2-methylindazole?
The IUPAC name of 5-bromo-4-chloro-7-fluoro-2-methylindazole (CID 146307835) is 5-bromo-4-chloro-7-fluoro-2-methylindazole.
What is the SMILES notation for 5-bromo-4-chloro-7-fluoro-2-methylindazole?
The canonical SMILES for 5-bromo-4-chloro-7-fluoro-2-methylindazole is Cn1cc2c(Cl)c(Br)cc(F)c2n1.
What is the InChIKey of 5-bromo-4-chloro-7-fluoro-2-methylindazole?
The InChIKey is YESLYKMEOLCSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFN2/c1-13-3-4-7(10)5(9)2-6(11)8(4)12-13/h2-3H,1H3.
What are the key properties of 5-bromo-4-chloro-7-fluoro-2-methylindazole?
5-bromo-4-chloro-7-fluoro-2-methylindazole has a molecular weight of 263.50 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-7-fluoro-2-methylindazole is sourced from PubChem (CID 146307835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).