3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one

C19H23ClFN2O3+ — CID 54688753

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one
SMILESO=c1c(Cc2c(F)cccc2Cl)c(O)ccn1CCC[NH+]1CCOCC1
InChIInChI=1S/C19H22ClFN2O3/c20-16-3-1-4-17(21)14(16)13-15-18(24)5-8-23(19(15)25)7-2-6-22-9-11-26-12-10-22/h1,3-5,8,24H,2,6-7,9-13H2/p+1
InChIKeyNEHOGKXGYWUECI-UHFFFAOYSA-O
MW381.86 g/mol
LogP1.24
Rot. Bonds6

About 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one

3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one (PubChem CID 54688753) has the molecular formula C19H23ClFN2O3+ and a molecular weight of 381.86 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one
PubChem CID54688753
Molecular FormulaC19H23ClFN2O3+
Molecular Weight381.86 g/mol
Exact Mass381.14
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one
SMILESO=c1c(Cc2c(F)cccc2Cl)c(O)ccn1CCC[NH+]1CCOCC1
InChIInChI=1S/C19H22ClFN2O3/c20-16-3-1-4-17(21)14(16)13-15-18(24)5-8-23(19(15)25)7-2-6-22-9-11-26-12-10-22/h1,3-5,8,24H,2,6-7,9-13H2/p+1
InChIKeyNEHOGKXGYWUECI-UHFFFAOYSA-O
XLogP1.24
TPSA55.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 1094119
(2E)-3-(6-chloro-2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 6087869
3-(2-chloro-6-fluorobenzyl)-4-hydroxy-1-(3-morpholinopropyl)-2(1H)-pyridinone
CID 54682628
3-[(2-Chlorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54703753
3-(4-fluorobenzyl)-4-hydroxy-1-(3-morpholinopropyl)-2(1H)-pyridinone
CID 54682158
3-(2,4-dichlorobenzyl)-4-hydroxy-1-(3-morpholinopropyl)-2(1H)-pyridinone
CID 54696275
3-(2-chloro-6-fluorobenzyl)-4-hydroxy-1-(tetrahydro-2-furanylmethyl)-2(1H)-pyridinone
CID 54696638
5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione
CID 4062363
5-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 4575706
2-[3-(2-Chloro-6-fluorophenyl)propyl]-8-hydroxy-6-methyl-7-methylidene-3,4-dihydro-2,6-naphthyridin-1-one
CID 143003896
3-(2-chloro-6-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 4391008
2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 6965938

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one (CID 54688753) is 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one is O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1CCC[NH+]1CCOCC1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one?
The InChIKey is NEHOGKXGYWUECI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22ClFN2O3/c20-16-3-1-4-17(21)14(16)13-15-18(24)5-8-23(19(15)25)7-2-6-22-9-11-26-12-10-22/h1,3-5,8,24H,2,6-7,9-13H2/p+1.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one?
3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one has a molecular weight of 381.86 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 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-(3-morpholin-4-ium-4-ylpropyl)pyridin-2-one is sourced from PubChem (CID 54688753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).