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

C6H5F3N2O — CID 118805633

IUPAC4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
SMILESNc1c(F)c[nH]c(=O)c1C(F)F
InChIInChI=1S/C6H5F3N2O/c7-2-1-11-6(12)3(4(2)10)5(8)9/h1,5H,(H3,10,11,12)
InChIKeyRKCIPCMXBXMSSV-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.03
Rot. Bonds1

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

4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one (PubChem CID 118805633) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
PubChem CID118805633
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
SMILESNc1c(F)c[nH]c(=O)c1C(F)F
InChIInChI=1S/C6H5F3N2O/c7-2-1-11-6(12)3(4(2)10)5(8)9/h1,5H,(H3,10,11,12)
InChIKeyRKCIPCMXBXMSSV-UHFFFAOYSA-N
XLogP1.03
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
CID 118812570
3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130079591
3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130103823
4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 118852230
5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride
CID 130105066
3-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130079585
3-(difluoromethyl)-5-hydroxy-4-methyl-1H-pyridin-2-one
CID 130100101
5-bromo-3-(difluoromethyl)-2-oxo-1H-pyridine-4-sulfonamide
CID 130110670
4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxamide
CID 130100336
2-[5-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridin-3-yl]acetic acid
CID 130079710
3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082587
3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130104590

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one (CID 118805633) is 4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one is Nc1c(F)c[nH]c(=O)c1C(F)F.
What is the InChIKey of 4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The InChIKey is RKCIPCMXBXMSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/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-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one has a molecular weight of 178.11 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 118805633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).