8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine

C18H17ClFN — CID 22767478

IUPAC8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
SMILESFc1cccc(C2c3ccc(Cl)cc3C3NCCCC32)c1
InChIInChI=1S/C18H17ClFN/c19-12-6-7-14-16(10-12)18-15(5-2-8-21-18)17(14)11-3-1-4-13(20)9-11/h1,3-4,6-7,9-10,15,17-18,21H,2,5,8H2
InChIKeySTZLDQKORBKCEK-UHFFFAOYSA-N
MW301.79 g/mol
LogP4.67
Rot. Bonds1

About 8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine

8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine (PubChem CID 22767478) has the molecular formula C18H17ClFN and a molecular weight of 301.79 g/mol. Its IUPAC name is 8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine.

Molecular Properties

Compound Name8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
PubChem CID22767478
Molecular FormulaC18H17ClFN
Molecular Weight301.79 g/mol
Exact Mass301.10
IUPAC Name8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
SMILESFc1cccc(C2c3ccc(Cl)cc3C3NCCCC32)c1
InChIInChI=1S/C18H17ClFN/c19-12-6-7-14-16(10-12)18-15(5-2-8-21-18)17(14)11-3-1-4-13(20)9-11/h1,3-4,6-7,9-10,15,17-18,21H,2,5,8H2
InChIKeySTZLDQKORBKCEK-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The IUPAC name of 8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine (CID 22767478) is 8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine.
What is the SMILES notation for 8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The canonical SMILES for 8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine is Fc1cccc(C2c3ccc(Cl)cc3C3NCCCC32)c1.
What is the InChIKey of 8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The InChIKey is STZLDQKORBKCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN/c19-12-6-7-14-16(10-12)18-15(5-2-8-21-18)17(14)11-3-1-4-13(20)9-11/h1,3-4,6-7,9-10,15,17-18,21H,2,5,8H2.
What are the key properties of 8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine has a molecular weight of 301.79 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine is sourced from PubChem (CID 22767478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).