1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone

C21H17NO2 — CID 157499557

IUPAC1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc(CC2c3ccccc3-c3ccccc32)cn1
InChIInChI=1S/C21H17NO2/c23-13-21(24)20-10-9-14(12-22-20)11-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,12,19,23H,11,13H2
InChIKeyBYGATZADWHJVFF-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.61
Rot. Bonds4

About 1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone

1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone (PubChem CID 157499557) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone
PubChem CID157499557
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc(CC2c3ccccc3-c3ccccc32)cn1
InChIInChI=1S/C21H17NO2/c23-13-21(24)20-10-9-14(12-22-20)11-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,12,19,23H,11,13H2
InChIKeyBYGATZADWHJVFF-UHFFFAOYSA-N
XLogP3.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone
CID 2063343
(E)-1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 56850434
(2Z,8R,9S,10R,13S,14S,17R)-17-hydroxy-2-(hydroxymethylidene)-10,13-dimethyl-17-(pyridin-2-ylmethyl)-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
CID 118730069
[1,1'-Biphenyl]-2-yl-2-pyridinylmethanone
CID 25259012
Ninhydrin.Pyridin
CID 67634501
Aza-benzoin
CID 67927799
(3-Phenyl-2-bicyclo[2.2.1]hept-5-enyl)-pyridin-2-ylmethanone
CID 76384896
Isoquinolinoylcarbinol
CID 129667934
1-[3-[2-(4-Fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone
CID 57233100
5-(Hydroxymethyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one
CID 117945135
(2E)-5-(hydroxymethyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one
CID 117945185
2-[5-(4-Fluorophenyl)-2-pyridinyl]-2-oxoacetic acid
CID 117975392

Frequently Asked Questions

What is the IUPAC name of 1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone?
The IUPAC name of 1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone (CID 157499557) is 1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone?
The canonical SMILES for 1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone is O=C(CO)c1ccc(CC2c3ccccc3-c3ccccc32)cn1.
What is the InChIKey of 1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone?
The InChIKey is BYGATZADWHJVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c23-13-21(24)20-10-9-14(12-22-20)11-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,12,19,23H,11,13H2.
What are the key properties of 1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone?
1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone has a molecular weight of 315.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(9H-fluoren-9-ylmethyl)-2-pyridinyl]-2-hydroxyethanone is sourced from PubChem (CID 157499557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).