4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine

C21H19ClFN — CID 15648962

IUPAC4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(C2=CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CC1
InChIInChI=1S/C21H19ClFN/c1-24-10-8-15(9-11-24)20-13-19(14-2-5-17(23)6-3-14)18-7-4-16(22)12-21(18)20/h2-8,12-13,19H,9-11H2,1H3
InChIKeyYZVNDQNRVZGAEI-UHFFFAOYSA-N
MW339.84 g/mol
LogP5.27
Rot. Bonds2

About 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine

4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 15648962) has the molecular formula C21H19ClFN and a molecular weight of 339.84 g/mol. Its IUPAC name is 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID15648962
Molecular FormulaC21H19ClFN
Molecular Weight339.84 g/mol
Exact Mass339.12
IUPAC Name4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(C2=CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CC1
InChIInChI=1S/C21H19ClFN/c1-24-10-8-15(9-11-24)20-13-19(14-2-5-17(23)6-3-14)18-7-4-16(22)12-21(18)20/h2-8,12-13,19H,9-11H2,1H3
InChIKeyYZVNDQNRVZGAEI-UHFFFAOYSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.84
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine (CID 15648962) is 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine is CN1CC=C(C2=CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CC1.
What is the InChIKey of 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is YZVNDQNRVZGAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN/c1-24-10-8-15(9-11-24)20-13-19(14-2-5-17(23)6-3-14)18-7-4-16(22)12-21(18)20/h2-8,12-13,19H,9-11H2,1H3.
What are the key properties of 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine?
4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 339.84 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-3-(4-fluorophenyl)-3H-inden-1-yl]-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 15648962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).