4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one

C6H5ClF2N2O — CID 118800931

IUPAC4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1c(Cl)c[nH]c(=O)c1C(F)F
InChIInChI=1S/C6H5ClF2N2O/c7-2-1-11-6(12)3(4(2)10)5(8)9/h1,5H,(H3,10,11,12)
InChIKeyYTCWXOMDOWPPKW-UHFFFAOYSA-N
MW194.57 g/mol
LogP1.55
Rot. Bonds1

About 4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one

4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 118800931) has the molecular formula C6H5ClF2N2O and a molecular weight of 194.57 g/mol. Its IUPAC name is 4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one
PubChem CID118800931
Molecular FormulaC6H5ClF2N2O
Molecular Weight194.57 g/mol
Exact Mass194.01
IUPAC Name4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1c(Cl)c[nH]c(=O)c1C(F)F
InChIInChI=1S/C6H5ClF2N2O/c7-2-1-11-6(12)3(4(2)10)5(8)9/h1,5H,(H3,10,11,12)
InChIKeyYTCWXOMDOWPPKW-UHFFFAOYSA-N
XLogP1.55
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.57
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one
CID 69883344
4-amino-3-chloro-5-fluoro-1H-pyridin-2-one
CID 77231614
4-Amino-3-(difluoromethyl)-5-fluoropyridin-2-ol
CID 118805633
4-Amino-5-bromo-3-(difluoromethyl)pyridin-2-ol
CID 118806031
4-Amino-3-chloro-5-(difluoromethyl)pyridin-2-ol
CID 118810850
4-Chloro-3-(difluoromethyl)-5-fluoropyridin-2-ol
CID 118816780
4,5-Dichloro-3-(difluoromethyl)pyridin-2-ol
CID 118817923
4-amino-3-(trifluoromethyl)-1H-pyridin-2-one
CID 118834933
4-Amino-3-(difluoromethyl)pyridin-2-ol
CID 118840236

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one (CID 118800931) is 4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one is Nc1c(Cl)c[nH]c(=O)c1C(F)F.
What is the InChIKey of 4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is YTCWXOMDOWPPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O/c7-2-1-11-6(12)3(4(2)10)5(8)9/h1,5H,(H3,10,11,12).
What are the key properties of 4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one?
4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 194.57 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118800931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).