3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid

C10H5ClF3NO2 — CID 68745449

IUPAC3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(C(F)(F)F)cccc2c1Cl
InChIInChI=1S/C10H5ClF3NO2/c11-6-4-2-1-3-5(10(12,13)14)7(4)15-8(6)9(16)17/h1-3,15H,(H,16,17)
InChIKeyKSTHOTLERWLQRZ-UHFFFAOYSA-N
MW263.60 g/mol
LogP3.54
Rot. Bonds1

About 3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid

3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid (PubChem CID 68745449) has the molecular formula C10H5ClF3NO2 and a molecular weight of 263.60 g/mol. Its IUPAC name is 3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
PubChem CID68745449
Molecular FormulaC10H5ClF3NO2
Molecular Weight263.60 g/mol
Exact Mass263.00
IUPAC Name3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(C(F)(F)F)cccc2c1Cl
InChIInChI=1S/C10H5ClF3NO2/c11-6-4-2-1-3-5(10(12,13)14)7(4)15-8(6)9(16)17/h1-3,15H,(H,16,17)
InChIKeyKSTHOTLERWLQRZ-UHFFFAOYSA-N
XLogP3.54
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.60
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid (CID 68745449) is 3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2c(C(F)(F)F)cccc2c1Cl.
What is the InChIKey of 3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid?
The InChIKey is KSTHOTLERWLQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO2/c11-6-4-2-1-3-5(10(12,13)14)7(4)15-8(6)9(16)17/h1-3,15H,(H,16,17).
What are the key properties of 3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid?
3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid has a molecular weight of 263.60 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 68745449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).