1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one

C16H19FN2O3 — CID 94961057

IUPAC1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one
SMILESCN(CCO)Cc1cc(=O)c(O)cn1Cc1ccccc1F
InChIInChI=1S/C16H19FN2O3/c1-18(6-7-20)10-13-8-15(21)16(22)11-19(13)9-12-4-2-3-5-14(12)17/h2-5,8,11,20,22H,6-7,9-10H2,1H3
InChIKeyPWKDEECNBVYDDM-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.17
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one

1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one (PubChem CID 94961057) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one
PubChem CID94961057
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one
SMILESCN(CCO)Cc1cc(=O)c(O)cn1Cc1ccccc1F
InChIInChI=1S/C16H19FN2O3/c1-18(6-7-20)10-13-8-15(21)16(22)11-19(13)9-12-4-2-3-5-14(12)17/h2-5,8,11,20,22H,6-7,9-10H2,1H3
InChIKeyPWKDEECNBVYDDM-UHFFFAOYSA-N
XLogP1.17
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one (CID 94961057) is 1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one is CN(CCO)Cc1cc(=O)c(O)cn1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one?
The InChIKey is PWKDEECNBVYDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-18(6-7-20)10-13-8-15(21)16(22)11-19(13)9-12-4-2-3-5-14(12)17/h2-5,8,11,20,22H,6-7,9-10H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one?
1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one has a molecular weight of 306.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyridin-4-one is sourced from PubChem (CID 94961057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).