3-methyl-4-(trifluoromethyl)-2H-indazole

C9H7F3N2 — CID 70840993

IUPAC3-methyl-4-(trifluoromethyl)-2H-indazole
SMILESCc1[nH]nc2cccc(C(F)(F)F)c12
InChIInChI=1S/C9H7F3N2/c1-5-8-6(9(10,11)12)3-2-4-7(8)14-13-5/h2-4H,1H3,(H,13,14)
InChIKeyTXDQUFKSJDQZFL-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.89
Rot. Bonds

About 3-methyl-4-(trifluoromethyl)-2H-indazole

3-methyl-4-(trifluoromethyl)-2H-indazole (PubChem CID 70840993) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethyl)-2H-indazole.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethyl)-2H-indazole
PubChem CID70840993
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name3-methyl-4-(trifluoromethyl)-2H-indazole
SMILESCc1[nH]nc2cccc(C(F)(F)F)c12
InChIInChI=1S/C9H7F3N2/c1-5-8-6(9(10,11)12)3-2-4-7(8)14-13-5/h2-4H,1H3,(H,13,14)
InChIKeyTXDQUFKSJDQZFL-UHFFFAOYSA-N
XLogP2.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(trifluoromethyl)-2H-indazole?
The IUPAC name of 3-methyl-4-(trifluoromethyl)-2H-indazole (CID 70840993) is 3-methyl-4-(trifluoromethyl)-2H-indazole.
What is the SMILES notation for 3-methyl-4-(trifluoromethyl)-2H-indazole?
The canonical SMILES for 3-methyl-4-(trifluoromethyl)-2H-indazole is Cc1[nH]nc2cccc(C(F)(F)F)c12.
What is the InChIKey of 3-methyl-4-(trifluoromethyl)-2H-indazole?
The InChIKey is TXDQUFKSJDQZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c1-5-8-6(9(10,11)12)3-2-4-7(8)14-13-5/h2-4H,1H3,(H,13,14).
What are the key properties of 3-methyl-4-(trifluoromethyl)-2H-indazole?
3-methyl-4-(trifluoromethyl)-2H-indazole has a molecular weight of 200.16 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethyl)-2H-indazole is sourced from PubChem (CID 70840993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).