ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate

C7H10FN3O2 — CID 71743160

IUPACethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate
SMILESCCOC(=O)c1nc(F)c(N)n1C
InChIInChI=1S/C7H10FN3O2/c1-3-13-7(12)6-10-4(8)5(9)11(6)2/h3,9H2,1-2H3
InChIKeyPSHGWLJBCCVUIY-UHFFFAOYSA-N
MW187.17 g/mol
LogP0.32
Rot. Bonds2

About ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate

ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate (PubChem CID 71743160) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate
PubChem CID71743160
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Nameethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate
SMILESCCOC(=O)c1nc(F)c(N)n1C
InChIInChI=1S/C7H10FN3O2/c1-3-13-7(12)6-10-4(8)5(9)11(6)2/h3,9H2,1-2H3
InChIKeyPSHGWLJBCCVUIY-UHFFFAOYSA-N
XLogP0.32
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-amino-4-fluoro-1-methylimidazole-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 4-amino-5-fluoro-1-methylimidazole-2-carboxylate
CID 71743159
ethyl 4,5-dibromo-1-methylimidazole-2-carboxylate
CID 130115155
ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357720
ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63358168
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
ethyl 7-amino-1-methylbenzimidazole-2-carboxylate
CID 131268180
ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride
CID 22349687
ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate
CID 131624320
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 6-amino-2-fluoropyridine-3-carboxylate
CID 118545226
ethyl 5-(hydroxymethyl)-2-methyl-1,2,4-triazole-3-carboxylate
CID 155820989
ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride
CID 146155006

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate?
The IUPAC name of ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate (CID 71743160) is ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate?
The canonical SMILES for ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate is CCOC(=O)c1nc(F)c(N)n1C.
What is the InChIKey of ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate?
The InChIKey is PSHGWLJBCCVUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c1-3-13-7(12)6-10-4(8)5(9)11(6)2/h3,9H2,1-2H3.
What are the key properties of ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate?
ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate has a molecular weight of 187.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate is sourced from PubChem (CID 71743160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).