5,6-difluoro-1-methylindazole

C8H6F2N2 — CID 159529872

IUPAC5,6-difluoro-1-methylindazole
SMILESCn1ncc2cc(F)c(F)cc21
InChIInChI=1S/C8H6F2N2/c1-12-8-3-7(10)6(9)2-5(8)4-11-12/h2-4H,1H3
InChIKeyXLBXFSOFSVIYBP-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.85
Rot. Bonds

About 5,6-difluoro-1-methylindazole

5,6-difluoro-1-methylindazole (PubChem CID 159529872) has the molecular formula C8H6F2N2 and a molecular weight of 168.15 g/mol. Its IUPAC name is 5,6-difluoro-1-methylindazole.

Molecular Properties

Compound Name5,6-difluoro-1-methylindazole
PubChem CID159529872
Molecular FormulaC8H6F2N2
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name5,6-difluoro-1-methylindazole
SMILESCn1ncc2cc(F)c(F)cc21
InChIInChI=1S/C8H6F2N2/c1-12-8-3-7(10)6(9)2-5(8)4-11-12/h2-4H,1H3
InChIKeyXLBXFSOFSVIYBP-UHFFFAOYSA-N
XLogP1.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2H-indazol-6-amine
CID 590220
1-benzyl-1H-indazole
CID 797066
2-Methyl-5-nitro-2H-indazole
CID 97550
2-Methyl-6-nitro-2H-indazole
CID 81289
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1H-Indazole, 1-methyl-6-nitro-
CID 81290
1-Methyl-1H-indazole
CID 139456
1-methyl-1H-indazol-5-amine
CID 2768032
(S)-1-(5-Fluoro-1H-indazol-1-yl)propan-2-amine
CID 44452853
1-Phenyl-1H-indazole
CID 304268
5-Fluoro-1-pyridin-3-ylindazole
CID 76286753

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-methylindazole?
The IUPAC name of 5,6-difluoro-1-methylindazole (CID 159529872) is 5,6-difluoro-1-methylindazole.
What is the SMILES notation for 5,6-difluoro-1-methylindazole?
The canonical SMILES for 5,6-difluoro-1-methylindazole is Cn1ncc2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1-methylindazole?
The InChIKey is XLBXFSOFSVIYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2/c1-12-8-3-7(10)6(9)2-5(8)4-11-12/h2-4H,1H3.
What are the key properties of 5,6-difluoro-1-methylindazole?
5,6-difluoro-1-methylindazole has a molecular weight of 168.15 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-methylindazole is sourced from PubChem (CID 159529872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).