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

C7H8F2N2O2 — CID 118803037

IUPAC2-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
SMILESNCc1[nH]cc(C(F)F)c(=O)c1O
InChIInChI=1S/C7H8F2N2O2/c8-7(9)3-2-11-4(1-10)6(13)5(3)12/h2,7,13H,1,10H2,(H,11,12)
InChIKeyDVKCLPJYBGOUJA-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.48
Rot. Bonds2

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

2-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one (PubChem CID 118803037) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
PubChem CID118803037
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
SMILESNCc1[nH]cc(C(F)F)c(=O)c1O
InChIInChI=1S/C7H8F2N2O2/c8-7(9)3-2-11-4(1-10)6(13)5(3)12/h2,7,13H,1,10H2,(H,11,12)
InChIKeyDVKCLPJYBGOUJA-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 2-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one (CID 118803037) is 2-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one is NCc1[nH]cc(C(F)F)c(=O)c1O.
What is the InChIKey of 2-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The InChIKey is DVKCLPJYBGOUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-7(9)3-2-11-4(1-10)6(13)5(3)12/h2,7,13H,1,10H2,(H,11,12).
What are the key properties of 2-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
2-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-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 2-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 118803037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).