3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one

C7H8F2N2O2 — CID 130104554

IUPAC3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one
SMILESCOc1cc(C(F)F)c(N)c(=O)[nH]1
InChIInChI=1S/C7H8F2N2O2/c1-13-4-2-3(6(8)9)5(10)7(12)11-4/h2,6H,10H2,1H3,(H,11,12)
InChIKeyFOGFWPZALLIYSW-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.90
Rot. Bonds2

About 3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one

3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one (PubChem CID 130104554) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one
PubChem CID130104554
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one
SMILESCOc1cc(C(F)F)c(N)c(=O)[nH]1
InChIInChI=1S/C7H8F2N2O2/c1-13-4-2-3(6(8)9)5(10)7(12)11-4/h2,6H,10H2,1H3,(H,11,12)
InChIKeyFOGFWPZALLIYSW-UHFFFAOYSA-N
XLogP0.90
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one?
The IUPAC name of 3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one (CID 130104554) is 3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one?
The canonical SMILES for 3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one is COc1cc(C(F)F)c(N)c(=O)[nH]1.
What is the InChIKey of 3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one?
The InChIKey is FOGFWPZALLIYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-13-4-2-3(6(8)9)5(10)7(12)11-4/h2,6H,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one?
3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one has a molecular weight of 190.15 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(difluoromethyl)-6-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 130104554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).