ethyl 5-amino-3-fluoropyridine-2-carboxylate

C8H9FN2O2 — CID 119005075

IUPACethyl 5-amino-3-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(N)cc1F
InChIInChI=1S/C8H9FN2O2/c1-2-13-8(12)7-6(9)3-5(10)4-11-7/h3-4H,2,10H2,1H3
InChIKeyVRKUBTJIEHYEEG-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.98
Rot. Bonds2

About ethyl 5-amino-3-fluoropyridine-2-carboxylate

ethyl 5-amino-3-fluoropyridine-2-carboxylate (PubChem CID 119005075) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is ethyl 5-amino-3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3-fluoropyridine-2-carboxylate
PubChem CID119005075
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Nameethyl 5-amino-3-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(N)cc1F
InChIInChI=1S/C8H9FN2O2/c1-2-13-8(12)7-6(9)3-5(10)4-11-7/h3-4H,2,10H2,1H3
InChIKeyVRKUBTJIEHYEEG-UHFFFAOYSA-N
XLogP0.98
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-amino-3-fluoropyridine-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 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate
CID 133096784
ethyl 2-amino-5-fluoropyrimidine-4-carboxylate
CID 130019307
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate
CID 170434323
ethyl 3,5-diethylpyridine-2-carboxylate
CID 67884033
ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134675966
ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134664601
ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate
CID 130116351
ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 134673817
ethyl 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carboxylate
CID 133105445
ethyl 3-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134678035

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-fluoropyridine-2-carboxylate?
The IUPAC name of ethyl 5-amino-3-fluoropyridine-2-carboxylate (CID 119005075) is ethyl 5-amino-3-fluoropyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-3-fluoropyridine-2-carboxylate?
The canonical SMILES for ethyl 5-amino-3-fluoropyridine-2-carboxylate is CCOC(=O)c1ncc(N)cc1F.
What is the InChIKey of ethyl 5-amino-3-fluoropyridine-2-carboxylate?
The InChIKey is VRKUBTJIEHYEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-2-13-8(12)7-6(9)3-5(10)4-11-7/h3-4H,2,10H2,1H3.
What are the key properties of ethyl 5-amino-3-fluoropyridine-2-carboxylate?
ethyl 5-amino-3-fluoropyridine-2-carboxylate has a molecular weight of 184.17 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 119005075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).