ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate

C8H8FNO3 — CID 46311365

IUPACethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)ccc1F
InChIInChI=1S/C8H8FNO3/c1-2-13-8(12)7-5(9)3-4-6(11)10-7/h3-4H,2H2,1H3,(H,10,11)
InChIKeyGMAWUUPXPDZNFN-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.69
Rot. Bonds2

About ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate

ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate (PubChem CID 46311365) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate
PubChem CID46311365
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Nameethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)ccc1F
InChIInChI=1S/C8H8FNO3/c1-2-13-8(12)7-5(9)3-4-6(11)10-7/h3-4H,2H2,1H3,(H,10,11)
InChIKeyGMAWUUPXPDZNFN-UHFFFAOYSA-N
XLogP0.69
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate 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

ethyl 3,5-difluoro-1H-pyrrole-2-carboxylate
CID 141419828
ethyl 5-(3,4-difluorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 159678878
ethyl 3-(4-fluoro-2-propan-2-ylanilino)-6-oxo-1H-pyridine-2-carboxylate
CID 164529801
ethyl 3,4-difluoro-1H-pyrrole-2-carboxylate
CID 164851464
ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate
CID 54706936
ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate
CID 133103721
ethyl 2-oxo-1H-quinoline-7-carboxylate
CID 15091487
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 2-chloro-3,6-difluorobenzoate
CID 46311291
ethyl 3-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carboxylate
CID 133102469
ethyl 4,5-dichloro-3-(4-chlorophenyl)-1H-pyrrole-2-carboxylate
CID 177256247

Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate?
The IUPAC name of ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate (CID 46311365) is ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate is CCOC(=O)c1[nH]c(=O)ccc1F.
What is the InChIKey of ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate?
The InChIKey is GMAWUUPXPDZNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-2-13-8(12)7-5(9)3-4-6(11)10-7/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate?
ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate has a molecular weight of 185.15 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate is sourced from PubChem (CID 46311365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).