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

C7H8F2N2O2 — CID 130100141

IUPAC5-(aminomethyl)-3-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
SMILESNCc1cc(C(F)F)c(=O)[nH]c1O
InChIInChI=1S/C7H8F2N2O2/c8-5(9)4-1-3(2-10)6(12)11-7(4)13/h1,5H,2,10H2,(H2,11,12,13)
InChIKeyVGANYCKUODBCGX-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.48
Rot. Bonds2

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

5-(aminomethyl)-3-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one (PubChem CID 130100141) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
PubChem CID130100141
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name5-(aminomethyl)-3-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
SMILESNCc1cc(C(F)F)c(=O)[nH]c1O
InChIInChI=1S/C7H8F2N2O2/c8-5(9)4-1-3(2-10)6(12)11-7(4)13/h1,5H,2,10H2,(H2,11,12,13)
InChIKeyVGANYCKUODBCGX-UHFFFAOYSA-N
XLogP0.48
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-(aminomethyl)-3-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one (CID 130100141) is 5-(aminomethyl)-3-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one is NCc1cc(C(F)F)c(=O)[nH]c1O.
What is the InChIKey of 5-(aminomethyl)-3-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
The InChIKey is VGANYCKUODBCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-5(9)4-1-3(2-10)6(12)11-7(4)13/h1,5H,2,10H2,(H2,11,12,13).
What are the key properties of 5-(aminomethyl)-3-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
5-(aminomethyl)-3-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one has a molecular weight of 190.15 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 130100141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).