3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone

C15H13FN2O — CID 110474832

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ncccc1F)N1CCc2ccccc2C1
InChIInChI=1S/C15H13FN2O/c16-13-6-3-8-17-14(13)15(19)18-9-7-11-4-1-2-5-12(11)10-18/h1-6,8H,7,9-10H2
InChIKeyCGUBJNDCMXTHRK-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.42
Rot. Bonds1

About 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone (PubChem CID 110474832) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone
PubChem CID110474832
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ncccc1F)N1CCc2ccccc2C1
InChIInChI=1S/C15H13FN2O/c16-13-6-3-8-17-14(13)15(19)18-9-7-11-4-1-2-5-12(11)10-18/h1-6,8H,7,9-10H2
InChIKeyCGUBJNDCMXTHRK-UHFFFAOYSA-N
XLogP2.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 890837
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
(3-amino-2-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 104741429
(2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 115752999
3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone
CID 62248301
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 39033571
3,4-dihydro-1H-isoquinolin-2-yl(pyridazin-3-yl)methanone
CID 110852369
3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone
CID 109172324
3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethyl-1,2-oxazol-3-yl)methanone
CID 110852365
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone
CID 171994769
3,4-dihydro-1H-isoquinolin-2-yl-[5-fluoro-2-(2-fluoroanilino)-1,3-thiazol-4-yl]methanone
CID 56944491
(3,5-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3479388

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone (CID 110474832) is 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone is O=C(c1ncccc1F)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone?
The InChIKey is CGUBJNDCMXTHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-13-6-3-8-17-14(13)15(19)18-9-7-11-4-1-2-5-12(11)10-18/h1-6,8H,7,9-10H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone has a molecular weight of 256.28 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 110474832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).