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

C8H10F2N2O — CID 118808708

IUPAC2-(aminomethyl)-3-(difluoromethyl)-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN)c(C(F)F)c1=O
InChIInChI=1S/C8H10F2N2O/c1-4-3-12-5(2-11)6(7(4)13)8(9)10/h3,8H,2,11H2,1H3,(H,12,13)
InChIKeyBPSQEVQEYTXZRS-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.08
Rot. Bonds2

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

2-(aminomethyl)-3-(difluoromethyl)-5-methyl-1H-pyridin-4-one (PubChem CID 118808708) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(difluoromethyl)-5-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-(difluoromethyl)-5-methyl-1H-pyridin-4-one
PubChem CID118808708
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-(aminomethyl)-3-(difluoromethyl)-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN)c(C(F)F)c1=O
InChIInChI=1S/C8H10F2N2O/c1-4-3-12-5(2-11)6(7(4)13)8(9)10/h3,8H,2,11H2,1H3,(H,12,13)
InChIKeyBPSQEVQEYTXZRS-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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Related Compounds

5-ethyl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 23244054
2-(Aminomethyl)-3,5-dimethyl-1,4-dihydropyridin-4-one dihydrochloride
CID 132343971
2,3,5-Trimethylpyridin-4-ol
CID 15055119
2-(aminomethyl)-3,5-dimethylpyridin-4(1H)-one hydrochloride
CID 25219413
5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 147695886
3-[(1R)-1-aminoethyl]-5-fluoro-2-methyl-1H-pyridin-4-one
CID 173754936
2-propyl-5-(trifluoromethyl)-1H-pyridin-4-one
CID 177015934
2-{[Ethyl(2,2,2-trifluoroethyl)amino]methyl}-3,5-dimethyl-4-pyridinol
CID 91832517
2-methyl-5-[(2,2,2-trifluoroethylamino)methyl]-1H-pyridin-4-one
CID 108098639
5-[(2,2-difluoroethylamino)methyl]-2-methyl-1H-pyridin-4-one
CID 108098645
2-(Aminomethyl)-3-(difluoromethyl)-4-hydroxy-5-(trifluoromethyl)pyridine
CID 118814127
2-(Aminomethyl)-6-(difluoromethyl)-4-hydroxy-3-methylpyridine
CID 118814346

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(difluoromethyl)-5-methyl-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-3-(difluoromethyl)-5-methyl-1H-pyridin-4-one (CID 118808708) is 2-(aminomethyl)-3-(difluoromethyl)-5-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-3-(difluoromethyl)-5-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-3-(difluoromethyl)-5-methyl-1H-pyridin-4-one is Cc1c[nH]c(CN)c(C(F)F)c1=O.
What is the InChIKey of 2-(aminomethyl)-3-(difluoromethyl)-5-methyl-1H-pyridin-4-one?
The InChIKey is BPSQEVQEYTXZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-4-3-12-5(2-11)6(7(4)13)8(9)10/h3,8H,2,11H2,1H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-3-(difluoromethyl)-5-methyl-1H-pyridin-4-one?
2-(aminomethyl)-3-(difluoromethyl)-5-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)-3-(difluoromethyl)-5-methyl-1H-pyridin-4-one is sourced from PubChem (CID 118808708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).