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

C7H8F2N2O2 — CID 130104848

IUPAC5-amino-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESNc1c[nH]c(CO)c(C(F)F)c1=O
InChIInChI=1S/C7H8F2N2O2/c8-7(9)5-4(2-12)11-1-3(10)6(5)13/h1,7,12H,2,10H2,(H,11,13)
InChIKeyNFIYYTTVYBMPGC-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.39
Rot. Bonds2

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

5-amino-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 130104848) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 5-amino-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-amino-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
PubChem CID130104848
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name5-amino-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESNc1c[nH]c(CO)c(C(F)F)c1=O
InChIInChI=1S/C7H8F2N2O2/c8-7(9)5-4(2-12)11-1-3(10)6(5)13/h1,7,12H,2,10H2,(H,11,13)
InChIKeyNFIYYTTVYBMPGC-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
The IUPAC name of 5-amino-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one (CID 130104848) is 5-amino-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-amino-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-amino-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one is Nc1c[nH]c(CO)c(C(F)F)c1=O.
What is the InChIKey of 5-amino-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
The InChIKey is NFIYYTTVYBMPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-7(9)5-4(2-12)11-1-3(10)6(5)13/h1,7,12H,2,10H2,(H,11,13).
What are the key properties of 5-amino-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
5-amino-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one has a molecular weight of 190.15 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130104848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).