3-chloro-5-methyl-2H-indazole

C8H7ClN2 — CID 18679295

IUPAC3-chloro-5-methyl-2H-indazole
SMILESCc1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C8H7ClN2/c1-5-2-3-7-6(4-5)8(9)11-10-7/h2-4H,1H3,(H,10,11)
InChIKeyDVTKFHDZGBPPRP-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.52
Rot. Bonds

About 3-chloro-5-methyl-2H-indazole

3-chloro-5-methyl-2H-indazole (PubChem CID 18679295) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 3-chloro-5-methyl-2H-indazole.

Molecular Properties

Compound Name3-chloro-5-methyl-2H-indazole
PubChem CID18679295
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name3-chloro-5-methyl-2H-indazole
SMILESCc1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C8H7ClN2/c1-5-2-3-7-6(4-5)8(9)11-10-7/h2-4H,1H3,(H,10,11)
InChIKeyDVTKFHDZGBPPRP-UHFFFAOYSA-N
XLogP2.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-2H-indazole?
The IUPAC name of 3-chloro-5-methyl-2H-indazole (CID 18679295) is 3-chloro-5-methyl-2H-indazole.
What is the SMILES notation for 3-chloro-5-methyl-2H-indazole?
The canonical SMILES for 3-chloro-5-methyl-2H-indazole is Cc1ccc2n[nH]c(Cl)c2c1.
What is the InChIKey of 3-chloro-5-methyl-2H-indazole?
The InChIKey is DVTKFHDZGBPPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-5-2-3-7-6(4-5)8(9)11-10-7/h2-4H,1H3,(H,10,11).
What are the key properties of 3-chloro-5-methyl-2H-indazole?
3-chloro-5-methyl-2H-indazole has a molecular weight of 166.61 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-2H-indazole is sourced from PubChem (CID 18679295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).