2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one

C7H7F3N2O — CID 118853919

IUPAC2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
SMILESNCc1[nH]cc(C(F)F)c(=O)c1F
InChIInChI=1S/C7H7F3N2O/c8-5-4(1-11)12-2-3(6(5)13)7(9)10/h2,7H,1,11H2,(H,12,13)
InChIKeyAAUDLRYFELOPPM-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.91
Rot. Bonds2

About 2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one

2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one (PubChem CID 118853919) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
PubChem CID118853919
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
SMILESNCc1[nH]cc(C(F)F)c(=O)c1F
InChIInChI=1S/C7H7F3N2O/c8-5-4(1-11)12-2-3(6(5)13)7(9)10/h2,7H,1,11H2,(H,12,13)
InChIKeyAAUDLRYFELOPPM-UHFFFAOYSA-N
XLogP0.91
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 130079469
3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one
CID 130079387
5-(difluoromethyl)-3-fluoro-2-nitro-1H-pyridin-4-one
CID 130079355
3-amino-2-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-4-one
CID 130104725
3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
CID 130103833
2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid
CID 133093442
2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile
CID 130083845
3-(chloromethyl)-5-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130085159
2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid
CID 130100311
2-(chloromethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 118809846
2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130076765
5-(difluoromethyl)-2-(hydroxymethyl)-3-nitro-1H-pyridin-4-one
CID 130084380

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one (CID 118853919) is 2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one is NCc1[nH]cc(C(F)F)c(=O)c1F.
What is the InChIKey of 2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
The InChIKey is AAUDLRYFELOPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-5-4(1-11)12-2-3(6(5)13)7(9)10/h2,7H,1,11H2,(H,12,13).
What are the key properties of 2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one has a molecular weight of 192.14 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 118853919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).