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

C18H17ClFN — CID 22767445

IUPAC7-chloro-5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
SMILESFc1ccccc1C1c2cc(Cl)ccc2C2NCCCC21
InChIInChI=1S/C18H17ClFN/c19-11-7-8-12-15(10-11)17(13-4-1-2-6-16(13)20)14-5-3-9-21-18(12)14/h1-2,4,6-8,10,14,17-18,21H,3,5,9H2
InChIKeyZPVRLFWPFKAHTO-UHFFFAOYSA-N
MW301.79 g/mol
LogP4.67
Rot. Bonds1

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

7-chloro-5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine (PubChem CID 22767445) has the molecular formula C18H17ClFN and a molecular weight of 301.79 g/mol. Its IUPAC name is 7-chloro-5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine.

Molecular Properties

Compound Name7-chloro-5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
PubChem CID22767445
Molecular FormulaC18H17ClFN
Molecular Weight301.79 g/mol
Exact Mass301.10
IUPAC Name7-chloro-5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
SMILESFc1ccccc1C1c2cc(Cl)ccc2C2NCCCC21
InChIInChI=1S/C18H17ClFN/c19-11-7-8-12-15(10-11)17(13-4-1-2-6-16(13)20)14-5-3-9-21-18(12)14/h1-2,4,6-8,10,14,17-18,21H,3,5,9H2
InChIKeyZPVRLFWPFKAHTO-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

Analyze 7-chloro-5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The IUPAC name of 7-chloro-5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine (CID 22767445) is 7-chloro-5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine.
What is the SMILES notation for 7-chloro-5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The canonical SMILES for 7-chloro-5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine is Fc1ccccc1C1c2cc(Cl)ccc2C2NCCCC21.
What is the InChIKey of 7-chloro-5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The InChIKey is ZPVRLFWPFKAHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN/c19-11-7-8-12-15(10-11)17(13-4-1-2-6-16(13)20)14-5-3-9-21-18(12)14/h1-2,4,6-8,10,14,17-18,21H,3,5,9H2.
What are the key properties of 7-chloro-5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
7-chloro-5-(2-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 7-chloro-5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine is sourced from PubChem (CID 22767445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).