methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate

C9H10F2N2O3 — CID 133093512

IUPACmethyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
SMILESCOC(=O)Cc1cc(N)c(=O)[nH]c1C(F)F
InChIInChI=1S/C9H10F2N2O3/c1-16-6(14)3-4-2-5(12)9(15)13-7(4)8(10)11/h2,8H,3,12H2,1H3,(H,13,15)
InChIKeyRVEUSSJNUYWOMQ-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.61
Rot. Bonds3

About methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate

methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate (PubChem CID 133093512) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
PubChem CID133093512
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Namemethyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
SMILESCOC(=O)Cc1cc(N)c(=O)[nH]c1C(F)F
InChIInChI=1S/C9H10F2N2O3/c1-16-6(14)3-4-2-5(12)9(15)13-7(4)8(10)11/h2,8H,3,12H2,1H3,(H,13,15)
InChIKeyRVEUSSJNUYWOMQ-UHFFFAOYSA-N
XLogP0.61
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-6-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130104856
ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate
CID 133106232
ethane;methyl 2-[2-amino-4-(difluoromethyl)-5-methylphenyl]acetate
CID 143307153
methyl 2-[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093219
methyl 2-[5-amino-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 133088395
methyl 2-[3-cyano-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetate
CID 134686450
ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate
CID 133103499
methyl 2-[5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093235
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133102943
methyl 2-[2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetate
CID 134671753
methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate
CID 133102419
methyl 2-[5-(difluoromethyl)-4-iodo-6-oxo-1H-pyridin-2-yl]acetate
CID 133103677

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate?
The IUPAC name of methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate (CID 133093512) is methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate?
The canonical SMILES for methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate is COC(=O)Cc1cc(N)c(=O)[nH]c1C(F)F.
What is the InChIKey of methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate?
The InChIKey is RVEUSSJNUYWOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-16-6(14)3-4-2-5(12)9(15)13-7(4)8(10)11/h2,8H,3,12H2,1H3,(H,13,15).
What are the key properties of methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate?
methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate has a molecular weight of 232.19 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate is sourced from PubChem (CID 133093512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).