7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine

C19H17ClF3N — CID 22767456

IUPAC7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
SMILESFC(F)(F)c1ccccc1C1c2cc(Cl)ccc2C2NCCCC21
InChIInChI=1S/C19H17ClF3N/c20-11-7-8-12-15(10-11)17(14-5-3-9-24-18(12)14)13-4-1-2-6-16(13)19(21,22)23/h1-2,4,6-8,10,14,17-18,24H,3,5,9H2
InChIKeyXTUAUZZTIGXSMH-UHFFFAOYSA-N
MW351.80 g/mol
LogP5.55
Rot. Bonds1

About 7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine

7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine (PubChem CID 22767456) has the molecular formula C19H17ClF3N and a molecular weight of 351.80 g/mol. Its IUPAC name is 7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine.

Molecular Properties

Compound Name7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
PubChem CID22767456
Molecular FormulaC19H17ClF3N
Molecular Weight351.80 g/mol
Exact Mass351.10
IUPAC Name7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
SMILESFC(F)(F)c1ccccc1C1c2cc(Cl)ccc2C2NCCCC21
InChIInChI=1S/C19H17ClF3N/c20-11-7-8-12-15(10-11)17(14-5-3-9-24-18(12)14)13-4-1-2-6-16(13)19(21,22)23/h1-2,4,6-8,10,14,17-18,24H,3,5,9H2
InChIKeyXTUAUZZTIGXSMH-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.80
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine 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 7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The IUPAC name of 7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine (CID 22767456) is 7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine.
What is the SMILES notation for 7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The canonical SMILES for 7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine is FC(F)(F)c1ccccc1C1c2cc(Cl)ccc2C2NCCCC21.
What is the InChIKey of 7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The InChIKey is XTUAUZZTIGXSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N/c20-11-7-8-12-15(10-11)17(14-5-3-9-24-18(12)14)13-4-1-2-6-16(13)19(21,22)23/h1-2,4,6-8,10,14,17-18,24H,3,5,9H2.
What are the key properties of 7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine has a molecular weight of 351.80 g/mol, XLogP of 5.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine is sourced from PubChem (CID 22767456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).