8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole

C11H13FN2 — CID 90852966

IUPAC8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
SMILESFC1=CC2C(C=C1)N=C1CCNCC12
InChIInChI=1S/C11H13FN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-2,5,8-10,13H,3-4,6H2
InChIKeyQOQZZFCPXIRZOI-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.46
Rot. Bonds

About 8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole

8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole (PubChem CID 90852966) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
PubChem CID90852966
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
SMILESFC1=CC2C(C=C1)N=C1CCNCC12
InChIInChI=1S/C11H13FN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-2,5,8-10,13H,3-4,6H2
InChIKeyQOQZZFCPXIRZOI-UHFFFAOYSA-N
XLogP1.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 123527109
2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-c]pyridine
CID 123653362
(3aR)-6-fluoro-3-piperidin-4-yl-3aH-indazole
CID 124271931
(3aS)-6-fluoro-3-piperidin-4-yl-3aH-indazole
CID 124271932
(6Z)-6-ethylidene-2-fluoro-N-methyl-4-[(2E,4E)-4-methyl-5-(4-piperidin-4-ylpentan-2-ylideneamino)hepta-2,4,6-trien-2-yl]cyclohexa-2,4-dien-1-imine
CID 153383279
4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 54388499
3,4a,4b,8a,9,9a-Hexahydrocarbazol-4-imine
CID 57108702
6-Piperidin-4-yl-2,5-dihydropyridine
CID 57184087
[Phenyl(piperidin-4-yl)methylidene]azanide;yttrium
CID 58327603
3-piperidin-4-yl-5,6-dihydro-1H-isoindole
CID 58690582
2,3,4,4a,8,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 68572676
2-piperidin-4-yl-2H-indole
CID 69374500

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole (CID 90852966) is 8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole is FC1=CC2C(C=C1)N=C1CCNCC12.
What is the InChIKey of 8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole?
The InChIKey is QOQZZFCPXIRZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-2,5,8-10,13H,3-4,6H2.
What are the key properties of 8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole?
8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole has a molecular weight of 192.24 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 90852966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).