8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol

C15H15FN2O — CID 155959100

IUPAC8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCc1cnccc1N1CCc2cc(O)cc(F)c2C1
InChIInChI=1S/C15H15FN2O/c1-10-8-17-4-2-15(10)18-5-3-11-6-12(19)7-14(16)13(11)9-18/h2,4,6-8,19H,3,5,9H2,1H3
InChIKeyYBWANCOBXFMJHB-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.80
Rot. Bonds1

About 8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol

8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 155959100) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID155959100
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCc1cnccc1N1CCc2cc(O)cc(F)c2C1
InChIInChI=1S/C15H15FN2O/c1-10-8-17-4-2-15(10)18-5-3-11-6-12(19)7-14(16)13(11)9-18/h2,4,6-8,19H,3,5,9H2,1H3
InChIKeyYBWANCOBXFMJHB-UHFFFAOYSA-N
XLogP2.80
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol (CID 155959100) is 8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol is Cc1cnccc1N1CCc2cc(O)cc(F)c2C1.
What is the InChIKey of 8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is YBWANCOBXFMJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-8-17-4-2-15(10)18-5-3-11-6-12(19)7-14(16)13(11)9-18/h2,4,6-8,19H,3,5,9H2,1H3.
What are the key properties of 8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol?
8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 258.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(3-methyl-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 155959100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).