1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid

C11H9F3N2O2 — CID 64566513

IUPAC1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(CCC(F)(F)F)c2ccccc12
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)5-6-16-8-4-2-1-3-7(8)9(15-16)10(17)18/h1-4H,5-6H2,(H,17,18)
InChIKeyZNODWBTUXXHVBD-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.69
Rot. Bonds3

About 1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid

1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid (PubChem CID 64566513) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid
PubChem CID64566513
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(CCC(F)(F)F)c2ccccc12
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)5-6-16-8-4-2-1-3-7(8)9(15-16)10(17)18/h1-4H,5-6H2,(H,17,18)
InChIKeyZNODWBTUXXHVBD-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,2,2-trifluoroethoxy)propyl]indazole-3-carboxylic acid
CID 63106484
1-(5-fluoropentyl)indazole-3-carboxylic acid
CID 102334108
1-but-3-enylindazole-3-carboxylic acid
CID 18695576
1-(2-tert-butylsulfonylethyl)indazole-3-carboxylic acid
CID 106726412
1-(3-methylsulfonylpropyl)indazole-3-carboxylic acid
CID 55158701
1-(2-propan-2-ylsulfonylethyl)indazole-3-carboxylic acid
CID 106726410
1-(2-methylprop-2-enyl)indazole-3-carboxylic acid
CID 18695551
1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
CID 11515406
1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
CID 58796837
1-(2-methylidenebutyl)indazole-3-carboxylic acid
CID 66045729
1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid
CID 63106124
1-[2-(1-methylpiperidin-2-yl)ethyl]indazole-3-carboxylic acid
CID 107912892

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid?
The IUPAC name of 1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid (CID 64566513) is 1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid is O=C(O)c1nn(CCC(F)(F)F)c2ccccc12.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid?
The InChIKey is ZNODWBTUXXHVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)5-6-16-8-4-2-1-3-7(8)9(15-16)10(17)18/h1-4H,5-6H2,(H,17,18).
What are the key properties of 1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid?
1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid has a molecular weight of 258.20 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid is sourced from PubChem (CID 64566513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).