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

C6H7FN2O — CID 105428317

IUPAC3-(aminomethyl)-5-fluoro-1H-pyridin-2-one
SMILESNCc1cc(F)c[nH]c1=O
InChIInChI=1S/C6H7FN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,2,8H2,(H,9,10)
InChIKeyNNLPXOHCORZFPV-UHFFFAOYSA-N
MW142.13 g/mol
LogP-0.03
Rot. Bonds1

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

3-(aminomethyl)-5-fluoro-1H-pyridin-2-one (PubChem CID 105428317) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-1H-pyridin-2-one
PubChem CID105428317
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name3-(aminomethyl)-5-fluoro-1H-pyridin-2-one
SMILESNCc1cc(F)c[nH]c1=O
InChIInChI=1S/C6H7FN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,2,8H2,(H,9,10)
InChIKeyNNLPXOHCORZFPV-UHFFFAOYSA-N
XLogP-0.03
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-5-fluoro-1H-pyridin-2-one (CID 105428317) is 3-(aminomethyl)-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-1H-pyridin-2-one is NCc1cc(F)c[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-1H-pyridin-2-one?
The InChIKey is NNLPXOHCORZFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,2,8H2,(H,9,10).
What are the key properties of 3-(aminomethyl)-5-fluoro-1H-pyridin-2-one?
3-(aminomethyl)-5-fluoro-1H-pyridin-2-one has a molecular weight of 142.13 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 105428317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).