1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone

C16H10ClF3N2O — CID 110208553

IUPAC1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)n1cc(Cl)c2cc(C(F)(F)F)cnc21
InChIInChI=1S/C16H10ClF3N2O/c17-13-9-22(14(23)6-10-4-2-1-3-5-10)15-12(13)7-11(8-21-15)16(18,19)20/h1-5,7-9H,6H2
InChIKeyRQAUFKWWPZXBTG-UHFFFAOYSA-N
MW338.72 g/mol
LogP4.59
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone

1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone (PubChem CID 110208553) has the molecular formula C16H10ClF3N2O and a molecular weight of 338.72 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone
PubChem CID110208553
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.72 g/mol
Exact Mass338.04
IUPAC Name1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)n1cc(Cl)c2cc(C(F)(F)F)cnc21
InChIInChI=1S/C16H10ClF3N2O/c17-13-9-22(14(23)6-10-4-2-1-3-5-10)15-12(13)7-11(8-21-15)16(18,19)20/h1-5,7-9H,6H2
InChIKeyRQAUFKWWPZXBTG-UHFFFAOYSA-N
XLogP4.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone 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)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone (CID 110208553) is 1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)n1cc(Cl)c2cc(C(F)(F)F)cnc21.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone?
The InChIKey is RQAUFKWWPZXBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O/c17-13-9-22(14(23)6-10-4-2-1-3-5-10)15-12(13)7-11(8-21-15)16(18,19)20/h1-5,7-9H,6H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone?
1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone has a molecular weight of 338.72 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110208553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).