3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one

C17H17ClFNO3 — CID 54733869

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one
SMILESO=c1c(Cc2c(F)cccc2Cl)c(O)ccn1C[C@@H]1CCCO1
InChIInChI=1S/C17H17ClFNO3/c18-14-4-1-5-15(19)12(14)9-13-16(21)6-7-20(17(13)22)10-11-3-2-8-23-11/h1,4-7,11,21H,2-3,8-10H2/t11-/m0/s1
InChIKeyCENOUWHBGJZTKG-NSHDSACASA-N
MW337.78 g/mol
LogP3.12
Rot. Bonds4

About 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one

3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one (PubChem CID 54733869) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one
PubChem CID54733869
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one
SMILESO=c1c(Cc2c(F)cccc2Cl)c(O)ccn1C[C@@H]1CCCO1
InChIInChI=1S/C17H17ClFNO3/c18-14-4-1-5-15(19)12(14)9-13-16(21)6-7-20(17(13)22)10-11-3-2-8-23-11/h1,4-7,11,21H,2-3,8-10H2/t11-/m0/s1
InChIKeyCENOUWHBGJZTKG-NSHDSACASA-N
XLogP3.12
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one with MolForge

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Related Compounds

3-(4-fluorobenzyl)-4-hydroxy-1-(tetrahydro-2-furanylmethyl)-2(1H)-pyridinone
CID 54687291
3-(2-chloro-6-fluorobenzyl)-1-cycloheptyl-4-hydroxy-2(1H)-pyridinone
CID 54693099
3-(2-chloro-6-fluorobenzyl)-4-hydroxy-1-(3-morpholinopropyl)-2(1H)-pyridinone
CID 54682628
3-(2-chloro-6-fluorobenzyl)-4-hydroxy-1-(tetrahydro-2-furanylmethyl)-2(1H)-pyridinone
CID 54696638
3-(4-chlorobenzyl)-4-hydroxy-1-(2-methoxyethyl)-2(1H)-pyridinone
CID 54680136
2-chloro-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19119931
2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008
3-[(2-Chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one
CID 54688753
3-(2-chloro-6-fluorobenzyl)-1-dodecyl-4-hydroxy-2(1H)-pyridinone
CID 54703886
3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one
CID 54730584
3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one
CID 54730585
3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one
CID 54733868

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one (CID 54733869) is 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one is O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1C[C@@H]1CCCO1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one?
The InChIKey is CENOUWHBGJZTKG-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClFNO3/c18-14-4-1-5-15(19)12(14)9-13-16(21)6-7-20(17(13)22)10-11-3-2-8-23-11/h1,4-7,11,21H,2-3,8-10H2/t11-/m0/s1.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one?
3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one has a molecular weight of 337.78 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 54733869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).