3-amino-2-fluoro-1H-pyridin-4-one

C5H5FN2O — CID 130923611

IUPAC3-amino-2-fluoro-1H-pyridin-4-one
SMILESNc1c(F)[nH]ccc1=O
InChIInChI=1S/C5H5FN2O/c6-5-4(7)3(9)1-2-8-5/h1-2H,7H2,(H,8,9)
InChIKeyBVMDGXGJZAXWGN-UHFFFAOYSA-N
MW128.11 g/mol
LogP0.10
Rot. Bonds

About 3-amino-2-fluoro-1H-pyridin-4-one

3-amino-2-fluoro-1H-pyridin-4-one (PubChem CID 130923611) has the molecular formula C5H5FN2O and a molecular weight of 128.11 g/mol. Its IUPAC name is 3-amino-2-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-amino-2-fluoro-1H-pyridin-4-one
PubChem CID130923611
Molecular FormulaC5H5FN2O
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name3-amino-2-fluoro-1H-pyridin-4-one
SMILESNc1c(F)[nH]ccc1=O
InChIInChI=1S/C5H5FN2O/c6-5-4(7)3(9)1-2-8-5/h1-2H,7H2,(H,8,9)
InChIKeyBVMDGXGJZAXWGN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxypyridine
CID 12290
3-Aminopyridin-4-ol
CID 233392
2-Aminopyridin-4-ol
CID 820936
3-Amino-1-methyl-4(1H)-pyridinone
CID 55282111
2-Fluoropyridin-4-ol
CID 2762834
5-Amino-2-chloropyridin-4-ol
CID 45079902
3-Amino-1-ethyl-1,4-dihydropyridin-4-one
CID 71756677
5-Amino-2-bromopyridin-4-ol hydrobromide
CID 165942699
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-fluoro-1H-pyridin-4-one?
The IUPAC name of 3-amino-2-fluoro-1H-pyridin-4-one (CID 130923611) is 3-amino-2-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 3-amino-2-fluoro-1H-pyridin-4-one?
The canonical SMILES for 3-amino-2-fluoro-1H-pyridin-4-one is Nc1c(F)[nH]ccc1=O.
What is the InChIKey of 3-amino-2-fluoro-1H-pyridin-4-one?
The InChIKey is BVMDGXGJZAXWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O/c6-5-4(7)3(9)1-2-8-5/h1-2H,7H2,(H,8,9).
What are the key properties of 3-amino-2-fluoro-1H-pyridin-4-one?
3-amino-2-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-2-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 130923611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).