5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one

C6H7FN2O2 — CID 55255457

IUPAC5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one
SMILESNCc1cc(F)c(=O)[nH]c1O
InChIInChI=1S/C6H7FN2O2/c7-4-1-3(2-8)5(10)9-6(4)11/h1H,2,8H2,(H2,9,10,11)
InChIKeyDDDOQJPJQBREBQ-UHFFFAOYSA-N
MW158.13 g/mol
LogP-0.32
Rot. Bonds1

About 5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one

5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one (PubChem CID 55255457) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one
PubChem CID55255457
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one
SMILESNCc1cc(F)c(=O)[nH]c1O
InChIInChI=1S/C6H7FN2O2/c7-4-1-3(2-8)5(10)9-6(4)11/h1H,2,8H2,(H2,9,10,11)
InChIKeyDDDOQJPJQBREBQ-UHFFFAOYSA-N
XLogP-0.32
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoro-2,6-dihydroxynicotinamide
CID 135499944
2-(5-fluoro-2-hydroxy-6-oxo-1H-pyridin-3-yl)acetamide
CID 139636569
5-(fluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 152701922
3-(Trifluoromethyl)pyridine-2,6-diol
CID 17891626
4-(Aminomethyl)-3-(difluoromethyl)pyridine-2,6-diol
CID 118835418
5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092807
5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 130094533
5-(difluoromethyl)-4-fluoro-6-hydroxy-1H-pyridin-2-one
CID 130100047
5-(difluoromethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one
CID 130100048
5-(aminomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 130100140
5-(aminomethyl)-3-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 130100141
5-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 131615054

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one (CID 55255457) is 5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one is NCc1cc(F)c(=O)[nH]c1O.
What is the InChIKey of 5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one?
The InChIKey is DDDOQJPJQBREBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c7-4-1-3(2-8)5(10)9-6(4)11/h1H,2,8H2,(H2,9,10,11).
What are the key properties of 5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one?
5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one has a molecular weight of 158.13 g/mol, XLogP of -0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-fluoro-6-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 55255457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).