4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one

C6H3Cl2F2NO — CID 118817923

IUPAC4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)c(Cl)c1C(F)F
InChIInChI=1S/C6H3Cl2F2NO/c7-2-1-11-6(12)3(4(2)8)5(9)10/h1,5H,(H,11,12)
InChIKeyXZSOMKRDVQZFPV-UHFFFAOYSA-N
MW214.00 g/mol
LogP2.62
Rot. Bonds1

About 4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one

4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 118817923) has the molecular formula C6H3Cl2F2NO and a molecular weight of 214.00 g/mol. Its IUPAC name is 4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one
PubChem CID118817923
Molecular FormulaC6H3Cl2F2NO
Molecular Weight214.00 g/mol
Exact Mass212.96
IUPAC Name4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)c(Cl)c1C(F)F
InChIInChI=1S/C6H3Cl2F2NO/c7-2-1-11-6(12)3(4(2)8)5(9)10/h1,5H,(H,11,12)
InChIKeyXZSOMKRDVQZFPV-UHFFFAOYSA-N
XLogP2.62
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.00
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-Dichloro-4-trifluoromethyl-pyridin-2-OL
CID 13851616
5-Chloro-3-(trifluoromethyl)pyridin-2-ol
CID 18988867
4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one
CID 19791179
4-Chloro-2-hydroxy-3-(trifluoromethyl)pyridine
CID 53945305
4-Amino-5-chloro-3-(difluoromethyl)pyridin-2-ol
CID 118800931
4-Chloro-3-(difluoromethyl)-5-fluoropyridin-2-ol
CID 118816780
3-(Difluoromethyl)-4,5-difluoropyridin-2-ol
CID 118835345
4-Chloro-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-ol
CID 118839340
4-Bromo-5-chloro-3-(difluoromethyl)pyridin-2-ol
CID 118845250
4-(Chloromethyl)-3-(difluoromethyl)-5-fluoropyridin-2-ol
CID 118852361
3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130071521
5-chloro-4-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
CID 130071522

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one (CID 118817923) is 4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(Cl)c(Cl)c1C(F)F.
What is the InChIKey of 4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is XZSOMKRDVQZFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F2NO/c7-2-1-11-6(12)3(4(2)8)5(9)10/h1,5H,(H,11,12).
What are the key properties of 4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one?
4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 214.00 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-3-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118817923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).