5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol

C19H20FNO — CID 22767533

IUPAC5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol
SMILESCN1CCCC2C(c3cccc(F)c3)c3ccc(O)cc3C21
InChIInChI=1S/C19H20FNO/c1-21-9-3-6-16-18(12-4-2-5-13(20)10-12)15-8-7-14(22)11-17(15)19(16)21/h2,4-5,7-8,10-11,16,18-19,22H,3,6,9H2,1H3
InChIKeyTZJNZNYZBLUENR-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.06
Rot. Bonds1

About 5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol

5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol (PubChem CID 22767533) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol
PubChem CID22767533
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol
SMILESCN1CCCC2C(c3cccc(F)c3)c3ccc(O)cc3C21
InChIInChI=1S/C19H20FNO/c1-21-9-3-6-16-18(12-4-2-5-13(20)10-12)15-8-7-14(22)11-17(15)19(16)21/h2,4-5,7-8,10-11,16,18-19,22H,3,6,9H2,1H3
InChIKeyTZJNZNYZBLUENR-UHFFFAOYSA-N
XLogP4.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol with MolForge

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Related Compounds

1-methyl-5-(3-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
CID 22767551
5-(3-fluorophenyl)-7-methoxy-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 22767435
5-(3-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol
CID 22767410
5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
CID 22767464
8-chloro-5-(3-methoxyphenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 70630852
2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol
CID 54425276
7-chloro-1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 54307557
2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol
CID 105460356
(4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 24839459
7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 22767545
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
(2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 175660491

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol?
The IUPAC name of 5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol (CID 22767533) is 5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol.
What is the SMILES notation for 5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol?
The canonical SMILES for 5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol is CN1CCCC2C(c3cccc(F)c3)c3ccc(O)cc3C21.
What is the InChIKey of 5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol?
The InChIKey is TZJNZNYZBLUENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-21-9-3-6-16-18(12-4-2-5-13(20)10-12)15-8-7-14(22)11-17(15)19(16)21/h2,4-5,7-8,10-11,16,18-19,22H,3,6,9H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol?
5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol has a molecular weight of 297.37 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-8-ol is sourced from PubChem (CID 22767533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).