5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole

C15H10ClF3N2 — CID 134304229

IUPAC5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole
SMILESCc1cc2[nH]ncc2cc1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N2/c1-8-4-14-9(7-20-21-14)5-12(8)11-3-2-10(6-13(11)16)15(17,18)19/h2-7H,1H3,(H,20,21)
InChIKeyWNXYTJBRZKXNIX-UHFFFAOYSA-N
MW310.71 g/mol
LogP5.21
Rot. Bonds1

About 5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole

5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole (PubChem CID 134304229) has the molecular formula C15H10ClF3N2 and a molecular weight of 310.71 g/mol. Its IUPAC name is 5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole.

Molecular Properties

Compound Name5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole
PubChem CID134304229
Molecular FormulaC15H10ClF3N2
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole
SMILESCc1cc2[nH]ncc2cc1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N2/c1-8-4-14-9(7-20-21-14)5-12(8)11-3-2-10(6-13(11)16)15(17,18)19/h2-7H,1H3,(H,20,21)
InChIKeyWNXYTJBRZKXNIX-UHFFFAOYSA-N
XLogP5.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.71
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole?
The IUPAC name of 5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole (CID 134304229) is 5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole.
What is the SMILES notation for 5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole?
The canonical SMILES for 5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole is Cc1cc2[nH]ncc2cc1-c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole?
The InChIKey is WNXYTJBRZKXNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2/c1-8-4-14-9(7-20-21-14)5-12(8)11-3-2-10(6-13(11)16)15(17,18)19/h2-7H,1H3,(H,20,21).
What are the key properties of 5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole?
5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole has a molecular weight of 310.71 g/mol, XLogP of 5.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-1H-indazole is sourced from PubChem (CID 134304229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).