8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole

C17H16ClFN2 — CID 22591904

IUPAC8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
SMILESFc1cccc(Cl)c1-c1ccc2c(c1)C1CNCCC1N2
InChIInChI=1S/C17H16ClFN2/c18-13-2-1-3-14(19)17(13)10-4-5-15-11(8-10)12-9-20-7-6-16(12)21-15/h1-5,8,12,16,20-21H,6-7,9H2
InChIKeyZQDRUWSNYLOVNO-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.02
Rot. Bonds1

About 8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole

8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole (PubChem CID 22591904) has the molecular formula C17H16ClFN2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
PubChem CID22591904
Molecular FormulaC17H16ClFN2
Molecular Weight302.78 g/mol
Exact Mass302.10
IUPAC Name8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
SMILESFc1cccc(Cl)c1-c1ccc2c(c1)C1CNCCC1N2
InChIInChI=1S/C17H16ClFN2/c18-13-2-1-3-14(19)17(13)10-4-5-15-11(8-10)12-9-20-7-6-16(12)21-15/h1-5,8,12,16,20-21H,6-7,9H2
InChIKeyZQDRUWSNYLOVNO-UHFFFAOYSA-N
XLogP4.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole (CID 22591904) is 8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole is Fc1cccc(Cl)c1-c1ccc2c(c1)C1CNCCC1N2.
What is the InChIKey of 8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole?
The InChIKey is ZQDRUWSNYLOVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2/c18-13-2-1-3-14(19)17(13)10-4-5-15-11(8-10)12-9-20-7-6-16(12)21-15/h1-5,8,12,16,20-21H,6-7,9H2.
What are the key properties of 8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole?
8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole has a molecular weight of 302.78 g/mol, XLogP of 4.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 22591904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).