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

C₈H₁₀F₂N₂O₂ — CID 118803227

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

2-(aminomethyl)-5-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 118803227) has the molecular formula C₈H₁₀F₂N₂O₂ and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

• Compound Name: 2-(aminomethyl)-5-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-4-one
• PubChem CID: 118803227
• Molecular Formula: C₈H₁₀F₂N₂O₂
• Molecular Weight: 204.18 g/mol
• Exact Mass: 204.07
• IUPAC Name: 2-(aminomethyl)-5-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-4-one
• SMILES: NCc1[nH]cc(C(F)F)c(=O)c1CO
• InChI: InChI=1S/C8H10F2N2O2/c9-8(10)4-2-12-6(1-11)5(3-13)7(4)14/h2,8,13H,1,3,11H2,(H,12,14)
• InChIKey: BGZBBRCXVSNDKB-UHFFFAOYSA-N
• XLogP: 0.26
• TPSA: 79.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	204.18
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-4-one?

The IUPAC name of 2-(aminomethyl)-5-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-4-one (CID 118803227) is 2-(aminomethyl)-5-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-4-one.

What is the SMILES notation for 2-(aminomethyl)-5-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-4-one?

The canonical SMILES for 2-(aminomethyl)-5-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-4-one is NCc1[nH]cc(C(F)F)c(=O)c1CO.

What is the InChIKey of 2-(aminomethyl)-5-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-4-one?

The InChIKey is BGZBBRCXVSNDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c9-8(10)4-2-12-6(1-11)5(3-13)7(4)14/h2,8,13H,1,3,11H2,(H,12,14).

What are the key properties of 2-(aminomethyl)-5-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-4-one?

2-(aminomethyl)-5-(difluoromethyl)-3-(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 2-(aminomethyl)-5-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118803227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118803227 — identifiers, structure, computed properties (public domain)

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