1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid

C16H9F5N2O2 — CID 11537706

IUPAC1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(F)cc2F)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H9F5N2O2/c17-10-3-1-8(12(18)6-10)7-23-13-5-9(16(19,20)21)2-4-11(13)14(22-23)15(24)25/h1-6H,7H2,(H,24,25)
InChIKeyJYDMXULBJMXJGK-UHFFFAOYSA-N
MW356.25 g/mol
LogP4.08
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid

1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid (PubChem CID 11537706) has the molecular formula C16H9F5N2O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid
PubChem CID11537706
Molecular FormulaC16H9F5N2O2
Molecular Weight356.25 g/mol
Exact Mass356.06
IUPAC Name1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(F)cc2F)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H9F5N2O2/c17-10-3-1-8(12(18)6-10)7-23-13-5-9(16(19,20)21)2-4-11(13)14(22-23)15(24)25/h1-6H,7H2,(H,24,25)
InChIKeyJYDMXULBJMXJGK-UHFFFAOYSA-N
XLogP4.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid (CID 11537706) is 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid is O=C(O)c1nn(Cc2ccc(F)cc2F)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid?
The InChIKey is JYDMXULBJMXJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F5N2O2/c17-10-3-1-8(12(18)6-10)7-23-13-5-9(16(19,20)21)2-4-11(13)14(22-23)15(24)25/h1-6H,7H2,(H,24,25).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid?
1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid has a molecular weight of 356.25 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylic acid is sourced from PubChem (CID 11537706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).