ethyl 6-amino-2-fluoropyridine-3-carboxylate

C8H9FN2O2 — CID 118545226

IUPACethyl 6-amino-2-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N)nc1F
InChIInChI=1S/C8H9FN2O2/c1-2-13-8(12)5-3-4-6(10)11-7(5)9/h3-4H,2H2,1H3,(H2,10,11)
InChIKeySSQYMAKIZLUANS-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.98
Rot. Bonds2

About ethyl 6-amino-2-fluoropyridine-3-carboxylate

ethyl 6-amino-2-fluoropyridine-3-carboxylate (PubChem CID 118545226) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is ethyl 6-amino-2-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-2-fluoropyridine-3-carboxylate
PubChem CID118545226
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Nameethyl 6-amino-2-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N)nc1F
InChIInChI=1S/C8H9FN2O2/c1-2-13-8(12)5-3-4-6(10)11-7(5)9/h3-4H,2H2,1H3,(H2,10,11)
InChIKeySSQYMAKIZLUANS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 6-amino-2-fluoropyridine-3-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 2,6-diaminopyridine-3-carboxylate
CID 58784252
tert-butyl 6-amino-2-fluoropyridine-3-carboxylate
CID 21467261
ethyl 4-amino-3-fluoro-2-methylbenzoate
CID 131583478
ethyl 3-(6-amino-2-pyridinyl)-2-fluorobenzoate
CID 140766864
ethyl 5-(difluoromethyl)-2,6-difluoropyridine-3-carboxylate
CID 134677162
ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028932
diethyl phthalazine-6,7-dicarboxylate
CID 13115748
diethyl 6-fluoroquinoline-2,3-dicarboxylate
CID 13351927
ethyl 3-amino-2-fluorobenzoate
CID 46311258
ethyl 4-chloro-2,3-difluorobenzoate
CID 46311295
ethyl 2-amino-3-fluoro-4-methoxybenzoate
CID 54595933
ethyl 3,7-difluoro-2H-indazole-6-carboxylate
CID 171474866

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-2-fluoropyridine-3-carboxylate?
The IUPAC name of ethyl 6-amino-2-fluoropyridine-3-carboxylate (CID 118545226) is ethyl 6-amino-2-fluoropyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-2-fluoropyridine-3-carboxylate?
The canonical SMILES for ethyl 6-amino-2-fluoropyridine-3-carboxylate is CCOC(=O)c1ccc(N)nc1F.
What is the InChIKey of ethyl 6-amino-2-fluoropyridine-3-carboxylate?
The InChIKey is SSQYMAKIZLUANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-2-13-8(12)5-3-4-6(10)11-7(5)9/h3-4H,2H2,1H3,(H2,10,11).
What are the key properties of ethyl 6-amino-2-fluoropyridine-3-carboxylate?
ethyl 6-amino-2-fluoropyridine-3-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 6-amino-2-fluoropyridine-3-carboxylate is sourced from PubChem (CID 118545226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).