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

C7H8F2N2O2 — CID 130104559

IUPAC3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
SMILESCOc1c(C(F)F)c[nH]c(=O)c1N
InChIInChI=1S/C7H8F2N2O2/c1-13-5-3(6(8)9)2-11-7(12)4(5)10/h2,6H,10H2,1H3,(H,11,12)
InChIKeyMEBGCWKVQAVVDD-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.90
Rot. Bonds2

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

3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one (PubChem CID 130104559) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
PubChem CID130104559
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
SMILESCOc1c(C(F)F)c[nH]c(=O)c1N
InChIInChI=1S/C7H8F2N2O2/c1-13-5-3(6(8)9)2-11-7(12)4(5)10/h2,6H,10H2,1H3,(H,11,12)
InChIKeyMEBGCWKVQAVVDD-UHFFFAOYSA-N
XLogP0.90
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130072290
3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130110070
5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
CID 130083468
3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130104590
ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
CID 133103174
2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
CID 119000477
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130104913
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
CID 130104879
4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118817785
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
CID 130103221
3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130104845
5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
CID 130083210

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one (CID 130104559) is 3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one is COc1c(C(F)F)c[nH]c(=O)c1N.
What is the InChIKey of 3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one?
The InChIKey is MEBGCWKVQAVVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-13-5-3(6(8)9)2-11-7(12)4(5)10/h2,6H,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one?
3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one has a molecular weight of 190.15 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 130104559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).