1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid

C15H8ClF3N2O2 — CID 59625981

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H8ClF3N2O2/c16-11-6-10(15(17,18)19)7-20-13(11)21-4-3-8-5-9(14(22)23)1-2-12(8)21/h1-7H,(H,22,23)
InChIKeySCOJGHHOYVGYLQ-UHFFFAOYSA-N
MW340.69 g/mol
LogP4.40
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid (PubChem CID 59625981) has the molecular formula C15H8ClF3N2O2 and a molecular weight of 340.69 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid
PubChem CID59625981
Molecular FormulaC15H8ClF3N2O2
Molecular Weight340.69 g/mol
Exact Mass340.02
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H8ClF3N2O2/c16-11-6-10(15(17,18)19)7-20-13(11)21-4-3-8-5-9(14(22)23)1-2-12(8)21/h1-7H,(H,22,23)
InChIKeySCOJGHHOYVGYLQ-UHFFFAOYSA-N
XLogP4.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.69
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid (CID 59625981) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid is O=C(O)c1ccc2c(ccn2-c2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid?
The InChIKey is SCOJGHHOYVGYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O2/c16-11-6-10(15(17,18)19)7-20-13(11)21-4-3-8-5-9(14(22)23)1-2-12(8)21/h1-7H,(H,22,23).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid has a molecular weight of 340.69 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid is sourced from PubChem (CID 59625981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).