5-bromo-4-chloro-3-methoxy-2-methylindazole

C9H8BrClN2O — CID 156674016

IUPAC5-bromo-4-chloro-3-methoxy-2-methylindazole
SMILESCOc1c2c(Cl)c(Br)ccc2nn1C
InChIInChI=1S/C9H8BrClN2O/c1-13-9(14-2)7-6(12-13)4-3-5(10)8(7)11/h3-4H,1-2H3
InChIKeyBDIGPJANVQAHMU-UHFFFAOYSA-N
MW275.53 g/mol
LogP3.00
Rot. Bonds1

About 5-bromo-4-chloro-3-methoxy-2-methylindazole

5-bromo-4-chloro-3-methoxy-2-methylindazole (PubChem CID 156674016) has the molecular formula C9H8BrClN2O and a molecular weight of 275.53 g/mol. Its IUPAC name is 5-bromo-4-chloro-3-methoxy-2-methylindazole.

Molecular Properties

Compound Name5-bromo-4-chloro-3-methoxy-2-methylindazole
PubChem CID156674016
Molecular FormulaC9H8BrClN2O
Molecular Weight275.53 g/mol
Exact Mass273.95
IUPAC Name5-bromo-4-chloro-3-methoxy-2-methylindazole
SMILESCOc1c2c(Cl)c(Br)ccc2nn1C
InChIInChI=1S/C9H8BrClN2O/c1-13-9(14-2)7-6(12-13)4-3-5(10)8(7)11/h3-4H,1-2H3
InChIKeyBDIGPJANVQAHMU-UHFFFAOYSA-N
XLogP3.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-3-methoxy-2-methylindazole?
The IUPAC name of 5-bromo-4-chloro-3-methoxy-2-methylindazole (CID 156674016) is 5-bromo-4-chloro-3-methoxy-2-methylindazole.
What is the SMILES notation for 5-bromo-4-chloro-3-methoxy-2-methylindazole?
The canonical SMILES for 5-bromo-4-chloro-3-methoxy-2-methylindazole is COc1c2c(Cl)c(Br)ccc2nn1C.
What is the InChIKey of 5-bromo-4-chloro-3-methoxy-2-methylindazole?
The InChIKey is BDIGPJANVQAHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O/c1-13-9(14-2)7-6(12-13)4-3-5(10)8(7)11/h3-4H,1-2H3.
What are the key properties of 5-bromo-4-chloro-3-methoxy-2-methylindazole?
5-bromo-4-chloro-3-methoxy-2-methylindazole has a molecular weight of 275.53 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-3-methoxy-2-methylindazole is sourced from PubChem (CID 156674016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).