5-(difluoromethoxy)-1-methylindazole

C9H8F2N2O — CID 141364933

IUPAC5-(difluoromethoxy)-1-methylindazole
SMILESCn1ncc2cc(OC(F)F)ccc21
InChIInChI=1S/C9H8F2N2O/c1-13-8-3-2-7(14-9(10)11)4-6(8)5-12-13/h2-5,9H,1H3
InChIKeyCTMXQXXMNQBRKT-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.17
Rot. Bonds2

About 5-(difluoromethoxy)-1-methylindazole

5-(difluoromethoxy)-1-methylindazole (PubChem CID 141364933) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-methylindazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-methylindazole
PubChem CID141364933
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name5-(difluoromethoxy)-1-methylindazole
SMILESCn1ncc2cc(OC(F)F)ccc21
InChIInChI=1S/C9H8F2N2O/c1-13-8-3-2-7(14-9(10)11)4-6(8)5-12-13/h2-5,9H,1H3
InChIKeyCTMXQXXMNQBRKT-UHFFFAOYSA-N
XLogP2.17
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole
CID 141364979
5-cyclopropyloxy-1-methylindazole
CID 130057460
2-(1-methylindazol-5-yl)oxyacetic acid
CID 84673968
5-(2-bromoethoxy)-1-methylindazole
CID 168998456
5-(difluoromethoxy)-3-iodo-1-methylindazole
CID 71279544
1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol
CID 141364922
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
1,5-dimethylindazole;ethane
CID 90788862
5-(3-fluoropiperidin-4-yl)oxy-1-methylindazole
CID 139581403
6-(difluoromethoxy)-1-methylindazol-3-amine
CID 57476554
1-methyl-N,N-bis(2-methylpropyl)indazol-5-amine
CID 59514046
2-(difluoromethoxy)-7-methoxynaphthalene
CID 118831620

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-methylindazole?
The IUPAC name of 5-(difluoromethoxy)-1-methylindazole (CID 141364933) is 5-(difluoromethoxy)-1-methylindazole.
What is the SMILES notation for 5-(difluoromethoxy)-1-methylindazole?
The canonical SMILES for 5-(difluoromethoxy)-1-methylindazole is Cn1ncc2cc(OC(F)F)ccc21.
What is the InChIKey of 5-(difluoromethoxy)-1-methylindazole?
The InChIKey is CTMXQXXMNQBRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-13-8-3-2-7(14-9(10)11)4-6(8)5-12-13/h2-5,9H,1H3.
What are the key properties of 5-(difluoromethoxy)-1-methylindazole?
5-(difluoromethoxy)-1-methylindazole has a molecular weight of 198.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-methylindazole is sourced from PubChem (CID 141364933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).