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

C8H10F2N2O — CID 118814346

IUPAC2-(aminomethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one
SMILESCc1c(CN)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H10F2N2O/c1-4-6(3-11)12-5(8(9)10)2-7(4)13/h2,8H,3,11H2,1H3,(H,12,13)
InChIKeyYUFLHWVUCXJKFX-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.08
Rot. Bonds2

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

2-(aminomethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one (PubChem CID 118814346) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one
PubChem CID118814346
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-(aminomethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one
SMILESCc1c(CN)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H10F2N2O/c1-4-6(3-11)12-5(8(9)10)2-7(4)13/h2,8H,3,11H2,1H3,(H,12,13)
InChIKeyYUFLHWVUCXJKFX-UHFFFAOYSA-N
XLogP1.08
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one (CID 118814346) is 2-(aminomethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one is Cc1c(CN)[nH]c(C(F)F)cc1=O.
What is the InChIKey of 2-(aminomethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one?
The InChIKey is YUFLHWVUCXJKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-4-6(3-11)12-5(8(9)10)2-7(4)13/h2,8H,3,11H2,1H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one?
2-(aminomethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one has a molecular weight of 188.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one is sourced from PubChem (CID 118814346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).