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

C7H7F2NO2 — CID 130096959

IUPAC2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(C(F)F)[nH]ccc1=O
InChIInChI=1S/C7H7F2NO2/c1-12-6-4(11)2-3-10-5(6)7(8)9/h2-3,7H,1H3,(H,10,11)
InChIKeyWSMDOHVNKLANLQ-UHFFFAOYSA-N
MW175.13 g/mol
LogP1.32
Rot. Bonds2

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

2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one (PubChem CID 130096959) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
PubChem CID130096959
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(C(F)F)[nH]ccc1=O
InChIInChI=1S/C7H7F2NO2/c1-12-6-4(11)2-3-10-5(6)7(8)9/h2-3,7H,1H3,(H,10,11)
InChIKeyWSMDOHVNKLANLQ-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 2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one (CID 130096959) is 2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one is COc1c(C(F)F)[nH]ccc1=O.
What is the InChIKey of 2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The InChIKey is WSMDOHVNKLANLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c1-12-6-4(11)2-3-10-5(6)7(8)9/h2-3,7H,1H3,(H,10,11).
What are the key properties of 2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
2-(difluoromethyl)-3-methoxy-1H-pyridin-4-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 2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 130096959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).