3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one

C6H4ClF2NO2 — CID 14665041

IUPAC3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)F)cc1Cl
InChIInChI=1S/C6H4ClF2NO2/c7-4-1-3(12-6(8)9)2-10-5(4)11/h1-2,6H,(H,10,11)
InChIKeyMCIWNAQNMLUTOH-UHFFFAOYSA-N
MW195.55 g/mol
LogP1.63
Rot. Bonds2

About 3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one

3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one (PubChem CID 14665041) has the molecular formula C6H4ClF2NO2 and a molecular weight of 195.55 g/mol. Its IUPAC name is 3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one
PubChem CID14665041
Molecular FormulaC6H4ClF2NO2
Molecular Weight195.55 g/mol
Exact Mass194.99
IUPAC Name3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)F)cc1Cl
InChIInChI=1S/C6H4ClF2NO2/c7-4-1-3(12-6(8)9)2-10-5(4)11/h1-2,6H,(H,10,11)
InChIKeyMCIWNAQNMLUTOH-UHFFFAOYSA-N
XLogP1.63
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.55
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one (CID 14665041) is 3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(OC(F)F)cc1Cl.
What is the InChIKey of 3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one?
The InChIKey is MCIWNAQNMLUTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2NO2/c7-4-1-3(12-6(8)9)2-10-5(4)11/h1-2,6H,(H,10,11).
What are the key properties of 3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one?
3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one has a molecular weight of 195.55 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 14665041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).