3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one

C6H6F2N2O2 — CID 130099967

IUPAC3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
SMILESNc1cc(C(F)F)c(O)[nH]c1=O
InChIInChI=1S/C6H6F2N2O2/c7-4(8)2-1-3(9)6(12)10-5(2)11/h1,4H,9H2,(H2,10,11,12)
InChIKeySUPLUJJVKHVABE-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.60
Rot. Bonds1

About 3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one

3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one (PubChem CID 130099967) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
PubChem CID130099967
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC Name3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
SMILESNc1cc(C(F)F)c(O)[nH]c1=O
InChIInChI=1S/C6H6F2N2O2/c7-4(8)2-1-3(9)6(12)10-5(2)11/h1,4H,9H2,(H2,10,11,12)
InChIKeySUPLUJJVKHVABE-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one (CID 130099967) is 3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one is Nc1cc(C(F)F)c(O)[nH]c1=O.
What is the InChIKey of 3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
The InChIKey is SUPLUJJVKHVABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c7-4(8)2-1-3(9)6(12)10-5(2)11/h1,4H,9H2,(H2,10,11,12).
What are the key properties of 3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-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 3-amino-5-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 130099967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).