5-chloro-1,7-dimethylindazole

C9H9ClN2 — CID 121266447

IUPAC5-chloro-1,7-dimethylindazole
SMILESCc1cc(Cl)cc2cnn(C)c12
InChIInChI=1S/C9H9ClN2/c1-6-3-8(10)4-7-5-11-12(2)9(6)7/h3-5H,1-2H3
InChIKeyBUYLNFBSZRAGMW-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.54
Rot. Bonds

About 5-chloro-1,7-dimethylindazole

5-chloro-1,7-dimethylindazole (PubChem CID 121266447) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 5-chloro-1,7-dimethylindazole.

Molecular Properties

Compound Name5-chloro-1,7-dimethylindazole
PubChem CID121266447
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name5-chloro-1,7-dimethylindazole
SMILESCc1cc(Cl)cc2cnn(C)c12
InChIInChI=1S/C9H9ClN2/c1-6-3-8(10)4-7-5-11-12(2)9(6)7/h3-5H,1-2H3
InChIKeyBUYLNFBSZRAGMW-UHFFFAOYSA-N
XLogP2.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,7-dimethylindazole?
The IUPAC name of 5-chloro-1,7-dimethylindazole (CID 121266447) is 5-chloro-1,7-dimethylindazole.
What is the SMILES notation for 5-chloro-1,7-dimethylindazole?
The canonical SMILES for 5-chloro-1,7-dimethylindazole is Cc1cc(Cl)cc2cnn(C)c12.
What is the InChIKey of 5-chloro-1,7-dimethylindazole?
The InChIKey is BUYLNFBSZRAGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-6-3-8(10)4-7-5-11-12(2)9(6)7/h3-5H,1-2H3.
What are the key properties of 5-chloro-1,7-dimethylindazole?
5-chloro-1,7-dimethylindazole has a molecular weight of 180.64 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,7-dimethylindazole is sourced from PubChem (CID 121266447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).