7-chloro-5-methoxy-1-methylindazole

C9H9ClN2O — CID 84667229

IUPAC7-chloro-5-methoxy-1-methylindazole
SMILESCOc1cc(Cl)c2c(cnn2C)c1
InChIInChI=1S/C9H9ClN2O/c1-12-9-6(5-11-12)3-7(13-2)4-8(9)10/h3-5H,1-2H3
InChIKeyRXWSNADKCNLFNJ-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.24
Rot. Bonds1

About 7-chloro-5-methoxy-1-methylindazole

7-chloro-5-methoxy-1-methylindazole (PubChem CID 84667229) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 7-chloro-5-methoxy-1-methylindazole.

Molecular Properties

Compound Name7-chloro-5-methoxy-1-methylindazole
PubChem CID84667229
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name7-chloro-5-methoxy-1-methylindazole
SMILESCOc1cc(Cl)c2c(cnn2C)c1
InChIInChI=1S/C9H9ClN2O/c1-12-9-6(5-11-12)3-7(13-2)4-8(9)10/h3-5H,1-2H3
InChIKeyRXWSNADKCNLFNJ-UHFFFAOYSA-N
XLogP2.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-5-methoxy-1-methylindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methoxy-1-methylindazole?
The IUPAC name of 7-chloro-5-methoxy-1-methylindazole (CID 84667229) is 7-chloro-5-methoxy-1-methylindazole.
What is the SMILES notation for 7-chloro-5-methoxy-1-methylindazole?
The canonical SMILES for 7-chloro-5-methoxy-1-methylindazole is COc1cc(Cl)c2c(cnn2C)c1.
What is the InChIKey of 7-chloro-5-methoxy-1-methylindazole?
The InChIKey is RXWSNADKCNLFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-12-9-6(5-11-12)3-7(13-2)4-8(9)10/h3-5H,1-2H3.
What are the key properties of 7-chloro-5-methoxy-1-methylindazole?
7-chloro-5-methoxy-1-methylindazole has a molecular weight of 196.64 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methoxy-1-methylindazole is sourced from PubChem (CID 84667229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).