6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one

C7H7F2N3O3 — CID 118802906

IUPAC6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)c([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C7H7F2N3O3/c8-6(9)3-1-5(12(14)15)7(13)11-4(3)2-10/h1,6H,2,10H2,(H,11,13)
InChIKeyUJESESXMHOVQGY-UHFFFAOYSA-N
MW219.15 g/mol
LogP0.68
Rot. Bonds3

About 6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one

6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one (PubChem CID 118802906) has the molecular formula C7H7F2N3O3 and a molecular weight of 219.15 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one
PubChem CID118802906
Molecular FormulaC7H7F2N3O3
Molecular Weight219.15 g/mol
Exact Mass219.05
IUPAC Name6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)c([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C7H7F2N3O3/c8-6(9)3-1-5(12(14)15)7(13)11-4(3)2-10/h1,6H,2,10H2,(H,11,13)
InChIKeyUJESESXMHOVQGY-UHFFFAOYSA-N
XLogP0.68
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one?
The IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one (CID 118802906) is 6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one.
What is the SMILES notation for 6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one?
The canonical SMILES for 6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one is NCc1[nH]c(=O)c([N+](=O)[O-])cc1C(F)F.
What is the InChIKey of 6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one?
The InChIKey is UJESESXMHOVQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O3/c8-6(9)3-1-5(12(14)15)7(13)11-4(3)2-10/h1,6H,2,10H2,(H,11,13).
What are the key properties of 6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one?
6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one has a molecular weight of 219.15 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one is sourced from PubChem (CID 118802906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).