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

C7H8F2N2O — CID 130104593

IUPAC5-amino-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]cc(N)c(=O)c1C(F)F
InChIInChI=1S/C7H8F2N2O/c1-3-5(7(8)9)6(12)4(10)2-11-3/h2,7H,10H2,1H3,(H,11,12)
InChIKeyDJANVQRMHIRISP-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.20
Rot. Bonds1

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

5-amino-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one (PubChem CID 130104593) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 5-amino-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-amino-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one
PubChem CID130104593
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name5-amino-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]cc(N)c(=O)c1C(F)F
InChIInChI=1S/C7H8F2N2O/c1-3-5(7(8)9)6(12)4(10)2-11-3/h2,7H,10H2,1H3,(H,11,12)
InChIKeyDJANVQRMHIRISP-UHFFFAOYSA-N
XLogP1.20
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 133093553
5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 130099970
ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093393
4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 118805633
4-amino-3-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 118823289
5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carbonyl chloride
CID 130084068
5-amino-4-(difluoromethyl)-3-nitro-1H-pyridin-2-one
CID 130104623
4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one
CID 130101153
2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133093439
3-(difluoromethyl)-5-hydroxy-4-methyl-1H-pyridin-2-one
CID 130100101
3-(difluoromethyl)-2-(hydroxymethyl)-5-methyl-1H-pyridin-4-one
CID 130083878
3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130104590

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-amino-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one (CID 130104593) is 5-amino-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-amino-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-amino-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one is Cc1[nH]cc(N)c(=O)c1C(F)F.
What is the InChIKey of 5-amino-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one?
The InChIKey is DJANVQRMHIRISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-3-5(7(8)9)6(12)4(10)2-11-3/h2,7H,10H2,1H3,(H,11,12).
What are the key properties of 5-amino-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one?
5-amino-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one has a molecular weight of 174.15 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(difluoromethyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 130104593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).