6-chloro-2,5-dimethylindazole

C9H9ClN2 — CID 171662405

IUPAC6-chloro-2,5-dimethylindazole
SMILESCc1cc2cn(C)nc2cc1Cl
InChIInChI=1S/C9H9ClN2/c1-6-3-7-5-12(2)11-9(7)4-8(6)10/h3-5H,1-2H3
InChIKeyXFPBBQKHRCQZSH-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.54
Rot. Bonds

About 6-chloro-2,5-dimethylindazole

6-chloro-2,5-dimethylindazole (PubChem CID 171662405) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 6-chloro-2,5-dimethylindazole.

Molecular Properties

Compound Name6-chloro-2,5-dimethylindazole
PubChem CID171662405
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name6-chloro-2,5-dimethylindazole
SMILESCc1cc2cn(C)nc2cc1Cl
InChIInChI=1S/C9H9ClN2/c1-6-3-7-5-12(2)11-9(7)4-8(6)10/h3-5H,1-2H3
InChIKeyXFPBBQKHRCQZSH-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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Related Compounds

6-methoxy-2,5-dimethylindazole
CID 162433035
5-chloro-2-methylindazole-6-carbaldehyde
CID 117110225
(2,5-dimethylindazol-6-yl)methanol;ethane
CID 176566676
2,5-dimethylindazole
CID 58763639
2,6-dimethyl-5-propylindazole
CID 177040666
5-fluoro-2-methylindazol-6-amine
CID 117110292
6-fluoro-2-methylindazol-5-amine
CID 118626680
ethane;6-fluoro-2-methylindazole
CID 155591197
2,6-dimethylpyrazolo[4,3-c]pyridine;ethane
CID 166543912
7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline
CID 155962686
4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327687
5-(3-fluoro-4-methylphenyl)-2,6-dimethylindazole;propane
CID 166076712

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethylindazole?
The IUPAC name of 6-chloro-2,5-dimethylindazole (CID 171662405) is 6-chloro-2,5-dimethylindazole.
What is the SMILES notation for 6-chloro-2,5-dimethylindazole?
The canonical SMILES for 6-chloro-2,5-dimethylindazole is Cc1cc2cn(C)nc2cc1Cl.
What is the InChIKey of 6-chloro-2,5-dimethylindazole?
The InChIKey is XFPBBQKHRCQZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-6-3-7-5-12(2)11-9(7)4-8(6)10/h3-5H,1-2H3.
What are the key properties of 6-chloro-2,5-dimethylindazole?
6-chloro-2,5-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 6-chloro-2,5-dimethylindazole is sourced from PubChem (CID 171662405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).