2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone

C16H14FNO2 — CID 79723675

IUPAC2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone
SMILESO=C(CC1OCCc2ccccc21)c1ccc(F)cn1
InChIInChI=1S/C16H14FNO2/c17-12-5-6-14(18-10-12)15(19)9-16-13-4-2-1-3-11(13)7-8-20-16/h1-6,10,16H,7-9H2
InChIKeyPECNXKWGIKKAQH-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.11
Rot. Bonds3

About 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone

2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone (PubChem CID 79723675) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone
PubChem CID79723675
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone
SMILESO=C(CC1OCCc2ccccc21)c1ccc(F)cn1
InChIInChI=1S/C16H14FNO2/c17-12-5-6-14(18-10-12)15(19)9-16-13-4-2-1-3-11(13)7-8-20-16/h1-6,10,16H,7-9H2
InChIKeyPECNXKWGIKKAQH-UHFFFAOYSA-N
XLogP3.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-Oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] pyridine-2-carboxylate
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Ethyl isoquinolin-3-carboxylate
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Isoquinolin-1-yl(phenyl)methyl benzoate
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1-(1-Isoquinolyl)-2-methylpropyl benzoate
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CID 91759549
Ethyl 5-phenylpicolinate
CID 14540002
2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one
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Ethyl 3-isoquinolin-3-yl-3-oxopropanoate
CID 22925088
Methyl 2-benzoylpyridine-4-carboxylate
CID 132144291
3-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 168280475
2-(4-{2-[(3-Fluorophenyl)methoxy]ethyl}piperidine-1-carbonyl)pyridine
CID 53150648

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone (CID 79723675) is 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone is O=C(CC1OCCc2ccccc21)c1ccc(F)cn1.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone?
The InChIKey is PECNXKWGIKKAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-12-5-6-14(18-10-12)15(19)9-16-13-4-2-1-3-11(13)7-8-20-16/h1-6,10,16H,7-9H2.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone?
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone has a molecular weight of 271.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(5-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 79723675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).