5-bromo-3,4-dichloro-2-methylindazole

C8H5BrCl2N2 — CID 146307929

IUPAC5-bromo-3,4-dichloro-2-methylindazole
SMILESCn1nc2ccc(Br)c(Cl)c2c1Cl
InChIInChI=1S/C8H5BrCl2N2/c1-13-8(11)6-5(12-13)3-2-4(9)7(6)10/h2-3H,1H3
InChIKeyLEEVBSOXWBIJIN-UHFFFAOYSA-N
MW279.95 g/mol
LogP3.64
Rot. Bonds

About 5-bromo-3,4-dichloro-2-methylindazole

5-bromo-3,4-dichloro-2-methylindazole (PubChem CID 146307929) has the molecular formula C8H5BrCl2N2 and a molecular weight of 279.95 g/mol. Its IUPAC name is 5-bromo-3,4-dichloro-2-methylindazole.

Molecular Properties

Compound Name5-bromo-3,4-dichloro-2-methylindazole
PubChem CID146307929
Molecular FormulaC8H5BrCl2N2
Molecular Weight279.95 g/mol
Exact Mass277.90
IUPAC Name5-bromo-3,4-dichloro-2-methylindazole
SMILESCn1nc2ccc(Br)c(Cl)c2c1Cl
InChIInChI=1S/C8H5BrCl2N2/c1-13-8(11)6-5(12-13)3-2-4(9)7(6)10/h2-3H,1H3
InChIKeyLEEVBSOXWBIJIN-UHFFFAOYSA-N
XLogP3.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.95
LogP ≤ 53.64
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-methylindazole?
The IUPAC name of 5-bromo-3,4-dichloro-2-methylindazole (CID 146307929) is 5-bromo-3,4-dichloro-2-methylindazole.
What is the SMILES notation for 5-bromo-3,4-dichloro-2-methylindazole?
The canonical SMILES for 5-bromo-3,4-dichloro-2-methylindazole is Cn1nc2ccc(Br)c(Cl)c2c1Cl.
What is the InChIKey of 5-bromo-3,4-dichloro-2-methylindazole?
The InChIKey is LEEVBSOXWBIJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl2N2/c1-13-8(11)6-5(12-13)3-2-4(9)7(6)10/h2-3H,1H3.
What are the key properties of 5-bromo-3,4-dichloro-2-methylindazole?
5-bromo-3,4-dichloro-2-methylindazole has a molecular weight of 279.95 g/mol, XLogP of 3.64, 0 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-methylindazole is sourced from PubChem (CID 146307929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).