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

C7H8F2N2O2 — CID 130104567

IUPAC5-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(C(F)F)[nH]cc(N)c1=O
InChIInChI=1S/C7H8F2N2O2/c1-13-6-4(7(8)9)11-2-3(10)5(6)12/h2,7H,10H2,1H3,(H,11,12)
InChIKeyZQFGJKRLZAAKQT-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.90
Rot. Bonds2

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

5-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one (PubChem CID 130104567) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 5-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name5-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
PubChem CID130104567
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name5-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(C(F)F)[nH]cc(N)c1=O
InChIInChI=1S/C7H8F2N2O2/c1-13-6-4(7(8)9)11-2-3(10)5(6)12/h2,7H,10H2,1H3,(H,11,12)
InChIKeyZQFGJKRLZAAKQT-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-Methoxy-2-methyl-1H-pyridin-4-one
CID 323424
3-Ethoxy-4-hydroxy-2-trifluoromethylcarbonylpyridine
CID 129801817
4-Hydroxy-3-methoxy-2-(trifluoromethyl)pyridine
CID 69022654
5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one
CID 143248071
4-Hydroxy-5-methoxy-2-(trifluoromethyl)pyridine
CID 102030325
2-(Difluoromethyl)-4,5-dihydroxy-3-methoxypyridine
CID 118803657
2-(Difluoromethyl)-3,4-dihydroxy-5-methoxypyridine
CID 118814932
2-methyl-5-nitro-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118821861
2-(Difluoromethyl)-4-hydroxy-3-iodo-5-methoxypyridine
CID 118837386
2-(Difluoromethyl)-4-hydroxy-5-iodo-3-methoxypyridine
CID 118843100
2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118848254
2-(fluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118848909

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The IUPAC name of 5-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one (CID 130104567) is 5-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 5-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The canonical SMILES for 5-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one is COc1c(C(F)F)[nH]cc(N)c1=O.
What is the InChIKey of 5-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The InChIKey is ZQFGJKRLZAAKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-13-6-4(7(8)9)11-2-3(10)5(6)12/h2,7H,10H2,1H3,(H,11,12).
What are the key properties of 5-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
5-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-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 5-amino-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 130104567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).