6,7-difluoro-3-methyl-2H-indazole

C8H6F2N2 — CID 44614252

IUPAC6,7-difluoro-3-methyl-2H-indazole
SMILESCc1[nH]nc2c(F)c(F)ccc12
InChIInChI=1S/C8H6F2N2/c1-4-5-2-3-6(9)7(10)8(5)12-11-4/h2-3H,1H3,(H,11,12)
InChIKeyQTZWOMIKPDFVQY-UHFFFAOYSA-N
MW168.15 g/mol
LogP2.15
Rot. Bonds

About 6,7-difluoro-3-methyl-2H-indazole

6,7-difluoro-3-methyl-2H-indazole (PubChem CID 44614252) has the molecular formula C8H6F2N2 and a molecular weight of 168.15 g/mol. Its IUPAC name is 6,7-difluoro-3-methyl-2H-indazole.

Molecular Properties

Compound Name6,7-difluoro-3-methyl-2H-indazole
PubChem CID44614252
Molecular FormulaC8H6F2N2
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name6,7-difluoro-3-methyl-2H-indazole
SMILESCc1[nH]nc2c(F)c(F)ccc12
InChIInChI=1S/C8H6F2N2/c1-4-5-2-3-6(9)7(10)8(5)12-11-4/h2-3H,1H3,(H,11,12)
InChIKeyQTZWOMIKPDFVQY-UHFFFAOYSA-N
XLogP2.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-methyl-2H-indazole?
The IUPAC name of 6,7-difluoro-3-methyl-2H-indazole (CID 44614252) is 6,7-difluoro-3-methyl-2H-indazole.
What is the SMILES notation for 6,7-difluoro-3-methyl-2H-indazole?
The canonical SMILES for 6,7-difluoro-3-methyl-2H-indazole is Cc1[nH]nc2c(F)c(F)ccc12.
What is the InChIKey of 6,7-difluoro-3-methyl-2H-indazole?
The InChIKey is QTZWOMIKPDFVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2/c1-4-5-2-3-6(9)7(10)8(5)12-11-4/h2-3H,1H3,(H,11,12).
What are the key properties of 6,7-difluoro-3-methyl-2H-indazole?
6,7-difluoro-3-methyl-2H-indazole has a molecular weight of 168.15 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-methyl-2H-indazole is sourced from PubChem (CID 44614252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).