6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid

C16H10ClF3N2O2 — CID 127053026

IUPAC6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ncc(Cl)cc2n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10ClF3N2O2/c17-11-5-13-12(21-7-11)6-14(15(23)24)22(13)8-9-1-3-10(4-2-9)16(18,19)20/h1-7H,8H2,(H,23,24)
InChIKeyHFVXRVDWIOTTNL-UHFFFAOYSA-N
MW354.72 g/mol
LogP4.45
Rot. Bonds3

About 6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid

6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 127053026) has the molecular formula C16H10ClF3N2O2 and a molecular weight of 354.72 g/mol. Its IUPAC name is 6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid
PubChem CID127053026
Molecular FormulaC16H10ClF3N2O2
Molecular Weight354.72 g/mol
Exact Mass354.04
IUPAC Name6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ncc(Cl)cc2n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10ClF3N2O2/c17-11-5-13-12(21-7-11)6-14(15(23)24)22(13)8-9-1-3-10(4-2-9)16(18,19)20/h1-7H,8H2,(H,23,24)
InChIKeyHFVXRVDWIOTTNL-UHFFFAOYSA-N
XLogP4.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-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 6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 127053026) is 6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid is O=C(O)c1cc2ncc(Cl)cc2n1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is HFVXRVDWIOTTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O2/c17-11-5-13-12(21-7-11)6-14(15(23)24)22(13)8-9-1-3-10(4-2-9)16(18,19)20/h1-7H,8H2,(H,23,24).
What are the key properties of 6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid?
6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 354.72 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 127053026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).