7-fluoro-3,6-dimethyl-2H-indazole

C9H9FN2 — CID 167575971

IUPAC7-fluoro-3,6-dimethyl-2H-indazole
SMILESCc1ccc2c(C)[nH]nc2c1F
InChIInChI=1S/C9H9FN2/c1-5-3-4-7-6(2)11-12-9(7)8(5)10/h3-4H,1-2H3,(H,11,12)
InChIKeySVRYCCWPXQCHSF-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.32
Rot. Bonds

About 7-fluoro-3,6-dimethyl-2H-indazole

7-fluoro-3,6-dimethyl-2H-indazole (PubChem CID 167575971) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 7-fluoro-3,6-dimethyl-2H-indazole.

Molecular Properties

Compound Name7-fluoro-3,6-dimethyl-2H-indazole
PubChem CID167575971
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name7-fluoro-3,6-dimethyl-2H-indazole
SMILESCc1ccc2c(C)[nH]nc2c1F
InChIInChI=1S/C9H9FN2/c1-5-3-4-7-6(2)11-12-9(7)8(5)10/h3-4H,1-2H3,(H,11,12)
InChIKeySVRYCCWPXQCHSF-UHFFFAOYSA-N
XLogP2.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,6-dimethyl-2H-indazole?
The IUPAC name of 7-fluoro-3,6-dimethyl-2H-indazole (CID 167575971) is 7-fluoro-3,6-dimethyl-2H-indazole.
What is the SMILES notation for 7-fluoro-3,6-dimethyl-2H-indazole?
The canonical SMILES for 7-fluoro-3,6-dimethyl-2H-indazole is Cc1ccc2c(C)[nH]nc2c1F.
What is the InChIKey of 7-fluoro-3,6-dimethyl-2H-indazole?
The InChIKey is SVRYCCWPXQCHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c1-5-3-4-7-6(2)11-12-9(7)8(5)10/h3-4H,1-2H3,(H,11,12).
What are the key properties of 7-fluoro-3,6-dimethyl-2H-indazole?
7-fluoro-3,6-dimethyl-2H-indazole has a molecular weight of 164.18 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,6-dimethyl-2H-indazole is sourced from PubChem (CID 167575971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).