5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one

C7H7F3N2O — CID 130079380

IUPAC5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
SMILESNCc1c(C(F)F)cc(=O)[nH]c1F
InChIInChI=1S/C7H7F3N2O/c8-6(9)3-1-5(13)12-7(10)4(3)2-11/h1,6H,2,11H2,(H,12,13)
InChIKeyXRYZUQDYNKSBEK-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.91
Rot. Bonds2

About 5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one

5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one (PubChem CID 130079380) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
PubChem CID130079380
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
SMILESNCc1c(C(F)F)cc(=O)[nH]c1F
InChIInChI=1S/C7H7F3N2O/c8-6(9)3-1-5(13)12-7(10)4(3)2-11/h1,6H,2,11H2,(H,12,13)
InChIKeyXRYZUQDYNKSBEK-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
The IUPAC name of 5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one (CID 130079380) is 5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
The canonical SMILES for 5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one is NCc1c(C(F)F)cc(=O)[nH]c1F.
What is the InChIKey of 5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
The InChIKey is XRYZUQDYNKSBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-6(9)3-1-5(13)12-7(10)4(3)2-11/h1,6H,2,11H2,(H,12,13).
What are the key properties of 5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-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 5-(aminomethyl)-4-(difluoromethyl)-6-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 130079380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).