5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one

C17H13FN2O2 — CID 141343280

IUPAC5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one
SMILESCOc1ccc(-c2ccc(-c3cc(=O)[nH]cc3F)cc2)cn1
InChIInChI=1S/C17H13FN2O2/c1-22-17-7-6-13(9-20-17)11-2-4-12(5-3-11)14-8-16(21)19-10-15(14)18/h2-10H,1H3,(H,19,21)
InChIKeyJOIBGKLLMNQKRY-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.25
Rot. Bonds3

About 5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one

5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one (PubChem CID 141343280) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one
PubChem CID141343280
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one
SMILESCOc1ccc(-c2ccc(-c3cc(=O)[nH]cc3F)cc2)cn1
InChIInChI=1S/C17H13FN2O2/c1-22-17-7-6-13(9-20-17)11-2-4-12(5-3-11)14-8-16(21)19-10-15(14)18/h2-10H,1H3,(H,19,21)
InChIKeyJOIBGKLLMNQKRY-UHFFFAOYSA-N
XLogP3.25
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide
CID 11210019
Ro 24-0238
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(E)-3-(2,5-difluorophenyl)-N-[(1S)-1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
CID 10339721
ROCK inhibitor-2
CID 51003130
7-(6-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486266
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
N-(4-methoxybenzyl)-N'-(pyridin-3-ylmethyl)ethanediamide
CID 3113974
N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 2303641
2-[(3-Fluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263327
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylcyclohexane-1-carboxamide
CID 168280932
3-(1-Butyl-4-methoxy-naphthalen-2-yl)-N-(1-methyl-4-pyridin-3-yl-butyl)-acrylamide
CID 10002808
(1R,2R,4R)-2-[6-fluoro-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
CID 76318348

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one (CID 141343280) is 5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one is COc1ccc(-c2ccc(-c3cc(=O)[nH]cc3F)cc2)cn1.
What is the InChIKey of 5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one?
The InChIKey is JOIBGKLLMNQKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-22-17-7-6-13(9-20-17)11-2-4-12(5-3-11)14-8-16(21)19-10-15(14)18/h2-10H,1H3,(H,19,21).
What are the key properties of 5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one?
5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one has a molecular weight of 296.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 141343280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).