5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole

C9H7BrCl2N2 — CID 150192586

IUPAC5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole
SMILESCn1nc2ccc(Br)c(Cl)c2c1CCl
InChIInChI=1S/C9H7BrCl2N2/c1-14-7(4-11)8-6(13-14)3-2-5(10)9(8)12/h2-3H,4H2,1H3
InChIKeyFNTFNDYHJLPJPK-UHFFFAOYSA-N
MW293.98 g/mol
LogP3.73
Rot. Bonds1

About 5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole

5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole (PubChem CID 150192586) has the molecular formula C9H7BrCl2N2 and a molecular weight of 293.98 g/mol. Its IUPAC name is 5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole.

Molecular Properties

Compound Name5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole
PubChem CID150192586
Molecular FormulaC9H7BrCl2N2
Molecular Weight293.98 g/mol
Exact Mass291.92
IUPAC Name5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole
SMILESCn1nc2ccc(Br)c(Cl)c2c1CCl
InChIInChI=1S/C9H7BrCl2N2/c1-14-7(4-11)8-6(13-14)3-2-5(10)9(8)12/h2-3H,4H2,1H3
InChIKeyFNTFNDYHJLPJPK-UHFFFAOYSA-N
XLogP3.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.98
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole?
The IUPAC name of 5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole (CID 150192586) is 5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole.
What is the SMILES notation for 5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole?
The canonical SMILES for 5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole is Cn1nc2ccc(Br)c(Cl)c2c1CCl.
What is the InChIKey of 5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole?
The InChIKey is FNTFNDYHJLPJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrCl2N2/c1-14-7(4-11)8-6(13-14)3-2-5(10)9(8)12/h2-3H,4H2,1H3.
What are the key properties of 5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole?
5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole has a molecular weight of 293.98 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-3-(chloromethyl)-2-methylindazole is sourced from PubChem (CID 150192586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).