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

C7H6ClF2NO2 — CID 118799845

IUPAC4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one
SMILESCOc1cc(Cl)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C7H6ClF2NO2/c1-13-4-2-3(8)5(6(9)10)7(12)11-4/h2,6H,1H3,(H,11,12)
InChIKeyWZOSNVZHUHNHOG-UHFFFAOYSA-N
MW209.58 g/mol
LogP1.97
Rot. Bonds2

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

4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one (PubChem CID 118799845) has the molecular formula C7H6ClF2NO2 and a molecular weight of 209.58 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one
PubChem CID118799845
Molecular FormulaC7H6ClF2NO2
Molecular Weight209.58 g/mol
Exact Mass209.01
IUPAC Name4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one
SMILESCOc1cc(Cl)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C7H6ClF2NO2/c1-13-4-2-3(8)5(6(9)10)7(12)11-4/h2,6H,1H3,(H,11,12)
InChIKeyWZOSNVZHUHNHOG-UHFFFAOYSA-N
XLogP1.97
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.58
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one?
The IUPAC name of 4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one (CID 118799845) is 4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one is COc1cc(Cl)c(C(F)F)c(=O)[nH]1.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one?
The InChIKey is WZOSNVZHUHNHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO2/c1-13-4-2-3(8)5(6(9)10)7(12)11-4/h2,6H,1H3,(H,11,12).
What are the key properties of 4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one?
4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one has a molecular weight of 209.58 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 118799845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).