2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one

C9H13FN2O2 — CID 118534404

IUPAC2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one
SMILESCN(C)C(F)c1c(O)c(=O)ccn1C
InChIInChI=1S/C9H13FN2O2/c1-11(2)9(10)7-8(14)6(13)4-5-12(7)3/h4-5,9,14H,1-3H3
InChIKeyRTMWSAOTIUQXMH-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.62
Rot. Bonds2

About 2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one

2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one (PubChem CID 118534404) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one.

Molecular Properties

Compound Name2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one
PubChem CID118534404
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one
SMILESCN(C)C(F)c1c(O)c(=O)ccn1C
InChIInChI=1S/C9H13FN2O2/c1-11(2)9(10)7-8(14)6(13)4-5-12(7)3/h4-5,9,14H,1-3H3
InChIKeyRTMWSAOTIUQXMH-UHFFFAOYSA-N
XLogP0.62
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Deferiprone
CID 2972
CP 94
CID 86322
3-Hydroxy-2-methyl-1-propyl-4(1H)-pyridone
CID 121732
1-Ethyl-3-hydroxy-2-methyl-4-pyridinone
CID 94413
2-Ethyl-3-hydroxy-1-methyl-4(1H)-pyridinone
CID 86320
1-Butyl-2-methyl-3-hydroxypyridin-4-one
CID 121733
1-Allyl-2-methyl-3-hydroxypyrid-4-one
CID 3012091
3-Hydroxy-2-methyl-1-(propan-2-yl)-1,4-dihydropyridin-4-one
CID 10130140
2-Ethyl-3-hydroxy-1-propyl-4-pyridinone
CID 86321
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(2-propenyl)-
CID 3079582
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(1-methyle
CID 14956304
1-[2-(Dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one
CID 24881316

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one?
The IUPAC name of 2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one (CID 118534404) is 2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one.
What is the SMILES notation for 2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one?
The canonical SMILES for 2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one is CN(C)C(F)c1c(O)c(=O)ccn1C.
What is the InChIKey of 2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one?
The InChIKey is RTMWSAOTIUQXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-11(2)9(10)7-8(14)6(13)4-5-12(7)3/h4-5,9,14H,1-3H3.
What are the key properties of 2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one?
2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one has a molecular weight of 200.21 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylamino(fluoro)methyl]-3-hydroxy-1-methylpyridin-4-one is sourced from PubChem (CID 118534404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).