2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole

C15H10ClF3N2 — CID 59148078

IUPAC2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole
SMILESFC(F)(F)c1ccc2cn(Cc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C15H10ClF3N2/c16-13-5-1-10(2-6-13)8-21-9-11-3-4-12(15(17,18)19)7-14(11)20-21/h1-7,9H,8H2
InChIKeyUXRGFTIGXCJZGL-UHFFFAOYSA-N
MW310.71 g/mol
LogP4.76
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole

2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole (PubChem CID 59148078) has the molecular formula C15H10ClF3N2 and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole
PubChem CID59148078
Molecular FormulaC15H10ClF3N2
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole
SMILESFC(F)(F)c1ccc2cn(Cc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C15H10ClF3N2/c16-13-5-1-10(2-6-13)8-21-9-11-3-4-12(15(17,18)19)7-14(11)20-21/h1-7,9H,8H2
InChIKeyUXRGFTIGXCJZGL-UHFFFAOYSA-N
XLogP4.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole (CID 59148078) is 2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole is FC(F)(F)c1ccc2cn(Cc3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole?
The InChIKey is UXRGFTIGXCJZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2/c16-13-5-1-10(2-6-13)8-21-9-11-3-4-12(15(17,18)19)7-14(11)20-21/h1-7,9H,8H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole?
2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole has a molecular weight of 310.71 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)indazole is sourced from PubChem (CID 59148078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).