1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid

C15H9F3N2O2 — CID 59625842

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)11-2-4-13(19-8-11)20-6-5-9-7-10(14(21)22)1-3-12(9)20/h1-8H,(H,21,22)
InChIKeyFNBURNCADIYRCR-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.74
Rot. Bonds2

About 1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid

1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid (PubChem CID 59625842) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid
PubChem CID59625842
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)11-2-4-13(19-8-11)20-6-5-9-7-10(14(21)22)1-3-12(9)20/h1-8H,(H,21,22)
InChIKeyFNBURNCADIYRCR-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid (CID 59625842) is 1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid is O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid?
The InChIKey is FNBURNCADIYRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)11-2-4-13(19-8-11)20-6-5-9-7-10(14(21)22)1-3-12(9)20/h1-8H,(H,21,22).
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid?
1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid has a molecular weight of 306.24 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid is sourced from PubChem (CID 59625842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).