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

C6H6F2N2O2 — CID 130099970

IUPAC5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
SMILESNc1c[nH]c(C(F)F)c(O)c1=O
InChIInChI=1S/C6H6F2N2O2/c7-6(8)3-5(12)4(11)2(9)1-10-3/h1,6,12H,9H2,(H,10,11)
InChIKeyZLIIXYZHFOLYAL-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.60
Rot. Bonds1

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

5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one (PubChem CID 130099970) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
PubChem CID130099970
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC Name5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
SMILESNc1c[nH]c(C(F)F)c(O)c1=O
InChIInChI=1S/C6H6F2N2O2/c7-6(8)3-5(12)4(11)2(9)1-10-3/h1,6,12H,9H2,(H,10,11)
InChIKeyZLIIXYZHFOLYAL-UHFFFAOYSA-N
XLogP0.60
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide
CID 130100388
3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130103823
5-amino-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one
CID 130104593
2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde
CID 118809039
2-(difluoromethyl)-5-hydroxy-3-nitro-1H-pyridin-4-one
CID 118814916
6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide
CID 118848607
2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118815340
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid
CID 118842948
3-amino-7-hydroxy-1H-quinolin-4-one
CID 115014622
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118854723
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 118804024
ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 133093553

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The IUPAC name of 5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one (CID 130099970) is 5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one is Nc1c[nH]c(C(F)F)c(O)c1=O.
What is the InChIKey of 5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The InChIKey is ZLIIXYZHFOLYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c7-6(8)3-5(12)4(11)2(9)1-10-3/h1,6,12H,9H2,(H,10,11).
What are the key properties of 5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one has a molecular weight of 176.12 g/mol, XLogP of 0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 130099970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).