3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one

C8H10F2N2O2 — CID 130084616

IUPAC3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESNCc1c(CO)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H10F2N2O2/c9-8(10)5-1-7(14)4(2-11)6(3-13)12-5/h1,8,13H,2-3,11H2,(H,12,14)
InChIKeyOGHKQIMJMRIODN-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.26
Rot. Bonds3

About 3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one

3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 130084616) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
PubChem CID130084616
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESNCc1c(CO)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H10F2N2O2/c9-8(10)5-1-7(14)4(2-11)6(3-13)12-5/h1,8,13H,2-3,11H2,(H,12,14)
InChIKeyOGHKQIMJMRIODN-UHFFFAOYSA-N
XLogP0.26
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
The IUPAC name of 3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one (CID 130084616) is 3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one is NCc1c(CO)[nH]c(C(F)F)cc1=O.
What is the InChIKey of 3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
The InChIKey is OGHKQIMJMRIODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c9-8(10)5-1-7(14)4(2-11)6(3-13)12-5/h1,8,13H,2-3,11H2,(H,12,14).
What are the key properties of 3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one?
3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one has a molecular weight of 204.18 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130084616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).