3-amino-5-fluoro-1H-pyridin-4-one

C5H5FN2O — CID 131026970

IUPAC3-amino-5-fluoro-1H-pyridin-4-one
SMILESNc1c[nH]cc(F)c1=O
InChIInChI=1S/C5H5FN2O/c6-3-1-8-2-4(7)5(3)9/h1-2H,7H2,(H,8,9)
InChIKeyKMXNXNNIMZPESA-UHFFFAOYSA-N
MW128.11 g/mol
LogP0.10
Rot. Bonds

About 3-amino-5-fluoro-1H-pyridin-4-one

3-amino-5-fluoro-1H-pyridin-4-one (PubChem CID 131026970) has the molecular formula C5H5FN2O and a molecular weight of 128.11 g/mol. Its IUPAC name is 3-amino-5-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-fluoro-1H-pyridin-4-one
PubChem CID131026970
Molecular FormulaC5H5FN2O
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name3-amino-5-fluoro-1H-pyridin-4-one
SMILESNc1c[nH]cc(F)c1=O
InChIInChI=1S/C5H5FN2O/c6-3-1-8-2-4(7)5(3)9/h1-2H,7H2,(H,8,9)
InChIKeyKMXNXNNIMZPESA-UHFFFAOYSA-N
XLogP0.10
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Aminopyridin-4-ol
CID 233392
2-Fluoropyridin-4-ol
CID 2762834
5-Amino-2-chloropyridin-4-ol
CID 45079902
3-Amino-2-fluoropyridin-4-ol
CID 130923611
5-Amino-2-bromopyridin-4-ol hydrobromide
CID 165942699
3-Aminopyrrolinone
CID 129795814
3-Fluoropyridin-4-ol
CID 2762919
3,5-Diaminopyridin-4-ol
CID 3023994
2-Amino-3-fluoropyridin-4(1H)-one
CID 45078815
5-Amino-2-(trifluoromethyl)pyridin-4-ol
CID 57347020
5-Amino-2-fluoropyridin-4-ol
CID 92133077
(Z)-4-amino-3-(difluoromethylamino)but-3-en-2-one
CID 170238984

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-1H-pyridin-4-one?
The IUPAC name of 3-amino-5-fluoro-1H-pyridin-4-one (CID 131026970) is 3-amino-5-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 3-amino-5-fluoro-1H-pyridin-4-one?
The canonical SMILES for 3-amino-5-fluoro-1H-pyridin-4-one is Nc1c[nH]cc(F)c1=O.
What is the InChIKey of 3-amino-5-fluoro-1H-pyridin-4-one?
The InChIKey is KMXNXNNIMZPESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O/c6-3-1-8-2-4(7)5(3)9/h1-2H,7H2,(H,8,9).
What are the key properties of 3-amino-5-fluoro-1H-pyridin-4-one?
3-amino-5-fluoro-1H-pyridin-4-one has a molecular weight of 128.11 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 131026970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).