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

C7H7F2NO2 — CID 130096962

IUPAC6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
SMILESCOc1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H7F2NO2/c1-12-5-3-2-4(6(8)9)10-7(5)11/h2-3,6H,1H3,(H,10,11)
InChIKeyVQFBFEFYKNMXGW-UHFFFAOYSA-N
MW175.13 g/mol
LogP1.32
Rot. Bonds2

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

6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one (PubChem CID 130096962) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
PubChem CID130096962
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
SMILESCOc1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H7F2NO2/c1-12-5-3-2-4(6(8)9)10-7(5)11/h2-3,6H,1H3,(H,10,11)
InChIKeyVQFBFEFYKNMXGW-UHFFFAOYSA-N
XLogP1.32
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one (CID 130096962) is 6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one is COc1ccc(C(F)F)[nH]c1=O.
What is the InChIKey of 6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one?
The InChIKey is VQFBFEFYKNMXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c1-12-5-3-2-4(6(8)9)10-7(5)11/h2-3,6H,1H3,(H,10,11).
What are the key properties of 6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one?
6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one has a molecular weight of 175.13 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 130096962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).