3-(difluoromethyl)-1-methylindazole

C9H8F2N2 — CID 153487584

IUPAC3-(difluoromethyl)-1-methylindazole
SMILESCn1nc(C(F)F)c2ccccc21
InChIInChI=1S/C9H8F2N2/c1-13-7-5-3-2-4-6(7)8(12-13)9(10)11/h2-5,9H,1H3
InChIKeyUWIUCZPOIRNIFZ-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.51
Rot. Bonds1

About 3-(difluoromethyl)-1-methylindazole

3-(difluoromethyl)-1-methylindazole (PubChem CID 153487584) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methylindazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methylindazole
PubChem CID153487584
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name3-(difluoromethyl)-1-methylindazole
SMILESCn1nc(C(F)F)c2ccccc21
InChIInChI=1S/C9H8F2N2/c1-13-7-5-3-2-4-6(7)8(12-13)9(10)11/h2-5,9H,1H3
InChIKeyUWIUCZPOIRNIFZ-UHFFFAOYSA-N
XLogP2.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
1-methyl-3-(1-nitrosoethyl)indazole
CID 123266859
(2,3-difluoro-4-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 107516114
1-(1-methylindazol-3-yl)prop-2-yn-1-ol
CID 130172582
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
(2-chlorophenyl)-(1-methylindazol-3-yl)methanamine
CID 103126271
1-methyl-3-(trifluoromethyl)indazole
CID 83446574
(2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 103127986
3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol
CID 103128712
(1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 103128231
1-(1-methylindazol-3-yl)heptan-1-ol
CID 103128650

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methylindazole?
The IUPAC name of 3-(difluoromethyl)-1-methylindazole (CID 153487584) is 3-(difluoromethyl)-1-methylindazole.
What is the SMILES notation for 3-(difluoromethyl)-1-methylindazole?
The canonical SMILES for 3-(difluoromethyl)-1-methylindazole is Cn1nc(C(F)F)c2ccccc21.
What is the InChIKey of 3-(difluoromethyl)-1-methylindazole?
The InChIKey is UWIUCZPOIRNIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c1-13-7-5-3-2-4-6(7)8(12-13)9(10)11/h2-5,9H,1H3.
What are the key properties of 3-(difluoromethyl)-1-methylindazole?
3-(difluoromethyl)-1-methylindazole has a molecular weight of 182.17 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methylindazole is sourced from PubChem (CID 153487584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).