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

C7H8F2N2O — CID 130104590

IUPAC3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
SMILESCc1c(C(F)F)c[nH]c(=O)c1N
InChIInChI=1S/C7H8F2N2O/c1-3-4(6(8)9)2-11-7(12)5(3)10/h2,6H,10H2,1H3,(H,11,12)
InChIKeyVDWCGPKCDBJOQN-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.20
Rot. Bonds1

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

3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one (PubChem CID 130104590) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
PubChem CID130104590
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
SMILESCc1c(C(F)F)c[nH]c(=O)c1N
InChIInChI=1S/C7H8F2N2O/c1-3-4(6(8)9)2-11-7(12)5(3)10/h2,6H,10H2,1H3,(H,11,12)
InChIKeyVDWCGPKCDBJOQN-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

5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one
CID 130079323
3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130104559
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
CID 130104879
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130104913
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
CID 130103221
3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130104845
2-[5-(difluoromethyl)-4-methyl-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083859
4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118817785
3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
CID 130103833
2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid
CID 130084045
5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
CID 130088807
3-amino-5-ethenyl-4-methyl-1H-pyridin-2-one
CID 74888518

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one (CID 130104590) is 3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one is Cc1c(C(F)F)c[nH]c(=O)c1N.
What is the InChIKey of 3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one?
The InChIKey is VDWCGPKCDBJOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-3-4(6(8)9)2-11-7(12)5(3)10/h2,6H,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one?
3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-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 3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130104590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).