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

C7H7F3N2O — CID 130079398

IUPAC4-(aminomethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
SMILESNCc1cc(=O)[nH]c(F)c1C(F)F
InChIInChI=1S/C7H7F3N2O/c8-6(9)5-3(2-11)1-4(13)12-7(5)10/h1,6H,2,11H2,(H,12,13)
InChIKeySTWWWYQLBPOPKX-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.91
Rot. Bonds2

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

4-(aminomethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one (PubChem CID 130079398) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
PubChem CID130079398
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name4-(aminomethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one
SMILESNCc1cc(=O)[nH]c(F)c1C(F)F
InChIInChI=1S/C7H7F3N2O/c8-6(9)5-3(2-11)1-4(13)12-7(5)10/h1,6H,2,11H2,(H,12,13)
InChIKeySTWWWYQLBPOPKX-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 4-(aminomethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one (CID 130079398) is 4-(aminomethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one is NCc1cc(=O)[nH]c(F)c1C(F)F.
What is the InChIKey of 4-(aminomethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
The InChIKey is STWWWYQLBPOPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-6(9)5-3(2-11)1-4(13)12-7(5)10/h1,6H,2,11H2,(H,12,13).
What are the key properties of 4-(aminomethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one?
4-(aminomethyl)-5-(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 4-(aminomethyl)-5-(difluoromethyl)-6-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 130079398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).