6,7-difluoro-2,4-dimethylindazole

C9H8F2N2 — CID 166076527

IUPAC6,7-difluoro-2,4-dimethylindazole
SMILESCc1cc(F)c(F)c2nn(C)cc12
InChIInChI=1S/C9H8F2N2/c1-5-3-7(10)8(11)9-6(5)4-13(2)12-9/h3-4H,1-2H3
InChIKeyPRYZVFJLONQEPC-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.16
Rot. Bonds

About 6,7-difluoro-2,4-dimethylindazole

6,7-difluoro-2,4-dimethylindazole (PubChem CID 166076527) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 6,7-difluoro-2,4-dimethylindazole.

Molecular Properties

Compound Name6,7-difluoro-2,4-dimethylindazole
PubChem CID166076527
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name6,7-difluoro-2,4-dimethylindazole
SMILESCc1cc(F)c(F)c2nn(C)cc12
InChIInChI=1S/C9H8F2N2/c1-5-3-7(10)8(11)9-6(5)4-13(2)12-9/h3-4H,1-2H3
InChIKeyPRYZVFJLONQEPC-UHFFFAOYSA-N
XLogP2.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-6-fluoro-2,4-dimethylindazole
CID 166076486
5-bromo-4-fluoro-2,7-dimethylindazole;ethane
CID 178051017
4-(3,5-difluoro-4-methylphenyl)-2,7-dimethylindazole
CID 166076690
4,6-difluoro-2-methylindazole-5-carbaldehyde
CID 162382115
7-fluoro-4-(3-fluoro-4-methylphenyl)-2-methylindazole
CID 166076510
7-fluoro-2,6-dimethylindazol-5-amine;hydrochloride
CID 168914385
4-fluoro-2,5-dimethylpyrazolo[3,4-c]pyridine
CID 178139392
ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole
CID 156888629
7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole
CID 175616665
(7-fluoro-2,5-dimethylindazol-6-yl)methanol
CID 176566434
5-ethynyl-4,6-difluoro-2-methylindazole
CID 162382307
4-methyl-1-(3,4,5-trifluorophenyl)pyrazol-3-amine
CID 79194411

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2,4-dimethylindazole?
The IUPAC name of 6,7-difluoro-2,4-dimethylindazole (CID 166076527) is 6,7-difluoro-2,4-dimethylindazole.
What is the SMILES notation for 6,7-difluoro-2,4-dimethylindazole?
The canonical SMILES for 6,7-difluoro-2,4-dimethylindazole is Cc1cc(F)c(F)c2nn(C)cc12.
What is the InChIKey of 6,7-difluoro-2,4-dimethylindazole?
The InChIKey is PRYZVFJLONQEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c1-5-3-7(10)8(11)9-6(5)4-13(2)12-9/h3-4H,1-2H3.
What are the key properties of 6,7-difluoro-2,4-dimethylindazole?
6,7-difluoro-2,4-dimethylindazole has a molecular weight of 182.17 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2,4-dimethylindazole is sourced from PubChem (CID 166076527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).