7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine

C20H19ClF3N — CID 22767545

IUPAC7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESCN1CCCC2C(c3ccccc3C(F)(F)F)c3cc(Cl)ccc3C21
InChIInChI=1S/C20H19ClF3N/c1-25-10-4-6-15-18(14-5-2-3-7-17(14)20(22,23)24)16-11-12(21)8-9-13(16)19(15)25/h2-3,5,7-9,11,15,18-19H,4,6,10H2,1H3
InChIKeyVISAZTLWKBAAFK-UHFFFAOYSA-N
MW365.83 g/mol
LogP5.89
Rot. Bonds1

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

7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine (PubChem CID 22767545) has the molecular formula C20H19ClF3N and a molecular weight of 365.83 g/mol. Its IUPAC name is 7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine.

Molecular Properties

Compound Name7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
PubChem CID22767545
Molecular FormulaC20H19ClF3N
Molecular Weight365.83 g/mol
Exact Mass365.12
IUPAC Name7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
SMILESCN1CCCC2C(c3ccccc3C(F)(F)F)c3cc(Cl)ccc3C21
InChIInChI=1S/C20H19ClF3N/c1-25-10-4-6-15-18(14-5-2-3-7-17(14)20(22,23)24)16-11-12(21)8-9-13(16)19(15)25/h2-3,5,7-9,11,15,18-19H,4,6,10H2,1H3
InChIKeyVISAZTLWKBAAFK-UHFFFAOYSA-N
XLogP5.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.83
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The IUPAC name of 7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine (CID 22767545) is 7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine.
What is the SMILES notation for 7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The canonical SMILES for 7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine is CN1CCCC2C(c3ccccc3C(F)(F)F)c3cc(Cl)ccc3C21.
What is the InChIKey of 7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
The InChIKey is VISAZTLWKBAAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N/c1-25-10-4-6-15-18(14-5-2-3-7-17(14)20(22,23)24)16-11-12(21)8-9-13(16)19(15)25/h2-3,5,7-9,11,15,18-19H,4,6,10H2,1H3.
What are the key properties of 7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine?
7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine has a molecular weight of 365.83 g/mol, XLogP of 5.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine is sourced from PubChem (CID 22767545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).